SCHEMBL16794699

SCHEMBL16794699

CCn1cc(Cl)cc(Nc2cc(N(C)Cc3ccc(OC)cc3)c3ncc(C(=O)O)n3n2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 4/20 0.41
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ PDE1B Q01064 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ PTGER3 P43115 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ NR3C1 P04150 1/20 0.32
▸ PTGES O14684 1/20 0.32
▸ PPM1G O15355 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ PTPN1 P18031 1/20 0.32

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
SCHEMBL16794711 0.92 TYK2 (0.39) TYK2MEN1KMT2APDE1BMAPT
SCHEMBL16812398 0.89 TYK2 (0.46) TYK2PDE4D
SCHEMBL24263509 0.83 GPR6 (0.35) TYK2PDE1BKDM4EPDE4DNR3C1
SCHEMBL16794686 0.83 TYK2 (0.47) TYK2PDE4D
SCHEMBL24263403 0.82 TYK2 (0.48) TYK2KDM4EMAPTMAPK1PDE4D
SCHEMBL20504588 0.81 TYK2 (0.39) TYK2PDE4DSMN1; SMN2
SCHEMBL24263397 0.80 TYK2 (0.46) TYK2KDM4EPDE4DPOLBTSHR
SCHEMBL24263413 0.80 TYK2 (0.41) TYK2MAPTPDE4DTP53PTPN1
SCHEMBL16794676 0.79 PDE1B (0.40) MEN1KMT2APDE1BNPC1RAB9A
SCHEMBL24263286 0.79 TYK2 (0.55) TYK2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-30 — — US disclosed
EP-3080131-B1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2018-10-10 — — EP disclosed
US-20160304524-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2016-10-20 — — US disclosed
US-20160304524-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2016-10-20 — — US disclosed
EP-3080131-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES Bristol-Myers Squibb Company (US) 2016-10-19 — — EP disclosed
WO-2015089143-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-18 — — WO disclosed
WO-2015089143-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-18 — — 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 (2 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-20160304524-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA RESPONSES TYK2, IFNAR1, JAK3 TYK2 1/4885MEN1 3841/4885KMT2A 1271/4885
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses TYK2, IFNG, IFNAR1 TYK2 1/4885MEN1 3906/4885KMT2A 1273/4885

“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.

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