SCHEMBL4251692

SCHEMBL4251692

NNc1ncc(-c2cccc(F)c2)nn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
HPGDS O60760 1/20 0.44
ATR Q13535 1/20 0.44
IDO1 P14902 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAP4K4 O95819 4/20 0.43
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
MAOB P27338 1/20 0.41
KMO O15229 2/20 0.39
PIM1 P11309 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CDK2 P24941 2/20 0.38
CDC7 O00311 1/20 0.38

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
SCHEMBL15309634 0.81 HSD17B1 (0.59) ATRMAP4K4
SCHEMBL11510706 0.81 PIK3CD (0.50) ATRIDO1KDM4EGABRG2GABRB3
SCHEMBL837309 0.80 MAPK1 (0.45) ACHEATRMEN1KMT2APIM1
SCHEMBL837257 0.80 MAPT (0.53) ACHEATRKDM4EMAPTMEN1
SCHEMBL28259703 0.79 KDM4E (0.50) BCHEACHEHPGDSATRIDO1
SCHEMBL15309782 0.78 PRKDC (0.47) ATRKDM4EMAPTKMT2AMAP4K4
SCHEMBL836311 0.76 KIF11 (0.38) IDO1AGTR1
SCHEMBL15309623 0.76 RAB9A (0.58) BCHEACHEIDO1MAPT
SCHEMBL4247126 0.76 BCHE (0.48) BCHEACHEHPGDSATRIDO1
SCHEMBL11383906 0.74 MEN1 (0.54) HPGDSIDO1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507489-B2 Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
EP-2084162-B1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-10-15 US disclosed
EP-2084162-A2 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-08-05 EP disclosed
WO-2008051808-A2 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 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 (1 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-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS MAP3K20, TTK, PRKACB BCHE 3319/4885ACHE 4646/4885HPGDS 1875/4885

“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.