SCHEMBL12384396

SCHEMBL12384396

CC(C)(C)C1CCN(Cc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 11/20 0.57
▸ BCHE P06276 10/20 0.56
▸ BACE1 P56817 9/20 0.56
▸ CCR3 P51677 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HRH1 P35367 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL14093043 1.00 ACHE (0.57) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL19223406 0.90 CYP2D6 (0.60) ACHEBCHEBACE1CYP1A2CYP3A4
SCHEMBL22623856 0.90 CYP2D6 (0.60) ACHEBCHEBACE1CYP1A2CYP3A4
SCHEMBL12385776 0.90 CYP2D6 (0.60) ACHEBCHEBACE1CYP1A2CYP3A4
SCHEMBL10236431 0.90 ACHE (0.66) ACHEBCHEBACE1CCR3HRH1
SCHEMBL2485710 0.87 HRH1 (0.55) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL607896 0.87 ACHE (0.54) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL3272029 0.87 ACHE (0.54) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL607895 0.87 ACHE (0.54) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL12384414 0.86 FUCA1 (0.55) ACHEBCHEBACE1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 — — US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 — — US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 — — US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 — — US disclosed
CN-104583194-A Pyridazine and pyridine derivatives as NAMPT inhibitors ABBVIE INC 2015-04-29 — — CN disclosed
US-8623893-B2 Pyridino-pyridinone derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-01-07 — — US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 — — US disclosed
US-20130005724-A1 PYRIDINO-PYRIDINONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-01-03 — — US disclosed
US-8309552-B2 Immunomodulating heterocyclic compounds MEDIGENE AG (DE) 2012-11-13 — — US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 — — US disclosed
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 — — US disclosed
US-20080045527-A1 Immunomodulating Heterocyclic Compounds MEDIGENE LIMITED (GB) 2008-02-21 — — US disclosed
EP-1864986-A1 PYRAZOLOPYRIMIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2007-12-12 — — EP disclosed
US-7276505-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2007-10-02 — — US disclosed
US-7276505-B2 Immunomodulating heterocyclic compounds MEDIGENE LIMITED (GB) 2007-10-02 — — US disclosed
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-07-26 — — US disclosed
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-07-26 — — US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 — — US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 — — US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 — — US 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 (9 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-20130005724-A1 PYRIDINO-PYRIDINONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF PDGFRB, FLT3, PDGFRA ACHE 4039/4885BCHE 4275/4885BACE1 3267/4885
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 ACHE 2310/4885BCHE 3460/4885BACE1 3734/4885
US-20070032484-A1 Cathepsin K inhibitors CTSK, CTSS, CTSF ACHE 2120/4885BCHE 2588/4885BACE1 146/4885
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 ACHE 4471/4885BCHE 4878/4885BACE1 4384/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 ACHE 3858/4885BCHE 2929/4885BACE1 3655/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 ACHE 2310/4885BCHE 3460/4885BACE1 3734/4885
US-20080045527-A1 Immunomodulating Heterocyclic Compounds CD40, CD40LG, NGFR ACHE 3369/4885BCHE 3194/4885BACE1 2391/4885
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 ACHE 4012/4885BCHE 4553/4885BACE1 4126/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR ACHE 3264/4885BCHE 3003/4885BACE1 2269/4885

“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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