SCHEMBL3326591

SCHEMBL3326591

CC(C)(C)OC(=O)N1CCC(CN)(c2cccnc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.51
NAMPT P43490 8/20 0.51
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
TACR1 P25103 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
CCR5 P51681 2/20 0.44
KIT P10721 1/20 0.44
GBA1 P04062 1/20 0.44
CYP2C9 P11712 1/20 0.44
POLB P06746 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL701615 0.90 GPR119 (0.52) GPR119NAMPTOPRD1OPRK1TACR1
SCHEMBL10246190 0.87 NAMPT (0.49) GPR119NAMPTOPRD1OPRK1TACR1
SCHEMBL3322074 0.86 TACR1 (0.47) GPR119NAMPTOPRD1OPRK1TACR1
SCHEMBL701369 0.86 NAMPT (0.48) GPR119NAMPTOPRD1OPRK1TACR1
SCHEMBL703396 0.86 CCR5 (0.49) GPR119NAMPTOPRD1OPRK1TACR1
SCHEMBL557992 0.86 TACR1 (0.60) GPR119OPRD1OPRK1TACR1CCR5
SCHEMBL10246201 0.85 GPR119 (0.50) GPR119NAMPTOPRD1OPRK1TACR1
SCHEMBL10246265 0.85 NAMPT (0.48) GPR119NAMPTOPRD1OPRK1TACR1
SCHEMBL30017524 0.85 GPR119 (0.54) GPR119NAMPTOPRD1OPRK1JAK2
SCHEMBL26633633 0.85 GPR119 (0.54) GPR119NAMPTOPRD1OPRK1JAK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348553-A1 1-PYRIDAZIN-/TRIAZIN-3-YL-PIPER(-AZINE)/IDINE/PYROLIDINE DERIVATIVES AND COMPOSITIONS THEREOF FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2022-11-03 US disclosed
US-11401259-B2 1-Pyridazin-/triazin-3-yl-piper(-azine)/idine/pyrolidine derivatives and compositions thereof for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2022-08-02 US disclosed
US-20200369643-A1 1-PYRIDAZIN-/TRIAZIN-3-YL-PIPER(-AZINE)/IDINE/PYROLIDINE DERIVATIVES AND COMPOSITIONS THEREOF FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2020-11-26 US disclosed
US-20200369643-A1 1-PYRIDAZIN-/TRIAZIN-3-YL-PIPER(-AZINE)/IDINE/PYROLIDINE DERIVATIVES AND COMPOSITIONS THEREOF FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2020-11-26 US disclosed
US-10774065-B2 1-pyridazin-/triazin-3-yl-piper(-azine)/idine/pyrolidine derivatives and compositions thereof for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2020-09-15 US disclosed
US-10774065-B2 1-pyridazin-/triazin-3-yl-piper(-azine)/idine/pyrolidine derivatives and compositions thereof for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2020-09-15 US disclosed
US-10301278-B2 1-(triazin-3-yl/pyridazin-3-yl)-piper(-azine)idine derivatives and compositions therefor for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-05-28 US disclosed
US-10301278-B2 1-(triazin-3-yl/pyridazin-3-yl)-piper(-azine)idine derivatives and compositions therefor for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-05-28 US disclosed
US-20180362496-A1 1-PYRIDAZIN-/TRIAZIN-3-YL-PIPER(-AZINE)/IDINE/PYROLIDINE DERIVATIVES AND COMPOSITIONS THEREOF FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2018-12-20 US disclosed
US-10093646-B2 1-pyridazin-/triazin-3-yl-piper(-azine)/idine/pyrolidine derivatives and compositions thereof for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2018-10-09 US disclosed
WO-2015107493-A1 1 -PYRIDAZIN-/TRIAZIN-3-YL-PIPER(-AZINE)/IDINE/PYROLIDINE DERIVATIVES AND AND COMPOSITIONS THEREOF FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2015-07-23 WO disclosed
US-8343999-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-8343999-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-8343999-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-13 US disclosed
US-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-13 US disclosed
US-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-13 US disclosed
EP-2132203-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-12-16 EP disclosed
WO-2008124757-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-16 WO disclosed
WO-2008124757-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10301278-B2 1-(triazin-3-yl/pyridazin-3-yl)-piper(-azine)idine derivatives and compositions therefor for inhibiting the activity of SHP2 PTPN1, PTPN5, PTPN7 GPR119 739/4885NAMPT 3682/4885OPRD1 4004/4885
US-10774065-B2 1-pyridazin-/triazin-3-yl-piper(-azine)/idine/pyrolidine derivatives and compositions thereof for inhibiting the activity of SHP2 PTPN5, PTPN1, PTPN2 GPR119 454/4885NAMPT 3909/4885OPRD1 3478/4885
US-10093646-B2 1-pyridazin-/triazin-3-yl-piper(-azine)/idine/pyrolidine derivatives and compositions thereof for inhibiting the activity of SHP2 PTPN5, PTPN1, PTPN2 GPR119 454/4885NAMPT 3909/4885OPRD1 3478/4885
US-11401259-B2 1-Pyridazin-/triazin-3-yl-piper(-azine)/idine/pyrolidine derivatives and compositions thereof for inhibiting the activity of SHP2 PTPN5, PTPN1, PTPN2 GPR119 454/4885NAMPT 3909/4885OPRD1 3478/4885
US-20180362496-A1 1-PYRIDAZIN-/TRIAZIN-3-YL-PIPER(-AZINE)/IDINE/PYROLIDINE DERIVATIVES AND COMPOSITIONS THEREOF FOR INHIBITING THE ACTIVITY OF SHP2 PTPN5, PTPN1, PTPN2 GPR119 454/4885NAMPT 3909/4885OPRD1 3478/4885
US-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS TTBK1, ERBB2, TEC GPR119 808/4885NAMPT 983/4885OPRD1 4819/4885
US-20200369643-A1 1-PYRIDAZIN-/TRIAZIN-3-YL-PIPER(-AZINE)/IDINE/PYROLIDINE DERIVATIVES AND COMPOSITIONS THEREOF FOR INHIBITING THE ACTIVITY OF SHP2 PTPN5, PTPN1, PTPN2 GPR119 454/4885NAMPT 3909/4885OPRD1 3478/4885
US-20220348553-A1 1-PYRIDAZIN-/TRIAZIN-3-YL-PIPER(-AZINE)/IDINE/PYROLIDINE DERIVATIVES AND COMPOSITIONS THEREOF FOR INHIBITING THE ACTIVITY OF SHP2 PTPN5, PTPN1, PTPN2 GPR119 454/4885NAMPT 3909/4885OPRD1 3478/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.