SCHEMBL2337814

SCHEMBL2337814

O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(-c2ccc(F)c(Cl)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.56
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
MAPK1 P28482 2/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
DGAT2 Q96PD7 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 1/20 0.45
NAMPT P43490 2/20 0.45
LMNA P02545 1/20 0.44
NPC1 O15118 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
SCHEMBL2337525 0.89 GABRA1 (0.58) TP53GABRA1GABRG2GABRB3GABRA5
SCHEMBL2337537 0.85 GABRA1 (0.48) TP53GABRA1GABRG2GABRB3GABRA5
SCHEMBL2338906 0.84 GABRA1 (0.49) TP53GABRA1GABRG2GABRB3GABRA5
SCHEMBL2336726 0.84 GABRA1 (0.49) TP53GABRA1GABRG2GABRB3GABRA5
SCHEMBL2334730 0.84 GABRA1 (0.49) TP53GABRA1GABRG2GABRB3GABRA5
SCHEMBL2334943 0.83 ALDH1A1 (0.59) TP53GABRA1GABRG2GABRB3GABRA5
SCHEMBL4498670 0.83 TP53 (0.53) TP53MAPK1HPGDCYP1A2KMT2A
SCHEMBL2340591 0.83 TP53 (0.49) TP53GABRA1GABRG2GABRB3GABRA5
SCHEMBL16082503 0.82 TP53 (0.67) TP53HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL4501697 0.82 TP53 (0.52) TP53MAPK1HPGDCYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831206-B1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARM INC (US) 2011-08-24 EP claimed
US-7419995-B2 N-substituted benzimidazoyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. (US) 2008-09-02 US claimed
JP-2008521903-A 2008-06-26 JP claimed
EP-1831206-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI Pharmaceuticals, Inc. (US) 2007-09-12 EP claimed
WO-2006060381-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARMACEUTICALS, INC. (US) 2006-06-08 WO claimed
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. 2006-06-01 US claimed
EP-1831206-B1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARM INC (US) 2011-08-24 EP disclosed
US-7419995-B2 N-substituted benzimidazoyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. 2006-06-01 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 (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-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library KIT, CHUK, TNNI3K TP53 356/4885GABRA1 2772/4885GABRG2 3101/4885

“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.