SCHEMBL2144491

SCHEMBL2144491

CN1CCC(NC(=O)c2ccc(I)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
SLC6A5 Q9Y345 2/20 0.53
HDAC4 P56524 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CARM1 Q86X55 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.50
DPP4 P27487 1/20 0.49

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
SCHEMBL25512450 0.89 SLC6A5 (0.54) CYP1A2CYP2C19CYP2D6CYP2C9CYP3A4
SCHEMBL16222287 0.86 CARM1 (0.56) CYP1A2CYP2C19CYP2D6CYP2C9CYP3A4
SCHEMBL25511894 0.86 SLC6A5 (0.54) CYP1A2CYP2C19SLC6A5HDAC4HDAC6
SCHEMBL10195592 0.86 NPC1 (0.69) CYP1A2CYP2C19SLC6A5HDAC4HDAC6
SCHEMBL1202785 0.86 SLC6A5 (0.54) CYP1A2CYP2C19TSHRSLC6A5HDAC4
SCHEMBL4177216 0.85 RAB9A (0.62) CYP1A2CYP2C19CYP2D6CYP2C9CYP3A4
SCHEMBL4749226 0.84 NPC1 (0.67) CYP2D6TSHRTMEM97SIGMAR1SLC6A5
SCHEMBL20551505 0.84 NPSR1 (0.54) CYP1A2CYP2C19SLC6A5HDAC4HDAC6
SCHEMBL363917 0.84 CARM1 (0.69) CARM1PRMT6RAB9ANPC1SMN1; SMN2
SCHEMBL12139819 0.83 MEN1 (0.67) CYP1A2CYP2C19TSHRMAPK1SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
WO-2023138412-A1 FUSED PYRIMIDIN-2-AMINE COMPOUNDS AS CDK20 INHIBITORS INSILICO MEDICINE IP LIMITED (CN) 2023-07-27 WO disclosed
WO-2022011338-A2 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2022-01-13 WO disclosed
WO-2022011337-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2022-01-13 WO disclosed
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO disclosed
US-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors ASTRAZENECA AB (SE) 2009-04-16 US disclosed
CN-101115752-A 4- (4- (imidazol-4-yl) pyrimidin-2-ylamino) benzamides as cdk inhibitors ASTRAZENECA AB (SE) 2008-01-30 CN disclosed
EP-1828183-A1 4- (4- (IMIDAZOL-4-YL) PYRIMIDIN-2-YLAMINO) BENZAMIDES AS CDK INHIBITORS AstraZeneca AB (SE) 2007-09-05 EP disclosed
WO-2006064251-A1 4- (4- (IMIDAZOL-4-YL) PYRIMIDIN-2-YLAMINO) BENZAMIDES AS CDK INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 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 (4 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-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, MAPKAPK2, MAP3K20 CYP1A2 4441/4885CYP2C19 4546/4885CYP2D6 4606/4885
US-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors CCNI, CDK4, CDK3 CYP1A2 2258/4885CYP2C19 602/4885CYP2D6 1690/4885
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 CYP1A2 654/4885CYP2C19 2192/4885CYP2D6 1459/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 CYP1A2 654/4885CYP2C19 2192/4885CYP2D6 1459/4885

“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.