SCHEMBL2340591

SCHEMBL2340591

O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(-c2cnn(Cc3ccccc3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.49
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
HPGD P15428 1/20 0.44
PPARG P37231 2/20 0.43
PIK3CA P42336 2/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42

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 0.88 GABRA1 (0.58) TP53GABRA1GABRG2GABRB3GABRA5
SCHEMBL2337814 0.83 TP53 (0.56) TP53GABRA1GABRG2GABRB3GABRA5
SCHEMBL2334730 0.82 GABRA1 (0.49) TP53GABRA1GABRG2GABRB3GABRA5
SCHEMBL2336726 0.82 GABRA1 (0.49) TP53GABRA1GABRG2GABRB3GABRA5
SCHEMBL2338906 0.82 GABRA1 (0.49) TP53GABRA1GABRG2GABRB3GABRA5
SCHEMBL2334943 0.82 ALDH1A1 (0.59) TP53GABRA1GABRG2GABRB3GABRA5
SCHEMBL2337537 0.82 GABRA1 (0.48) TP53GABRA1GABRG2GABRB3GABRA5
SCHEMBL4498670 0.81 TP53 (0.53) TP53L3MBTL1MEN1KMT2ATDP1
SCHEMBL1381085 0.81 TSHR (0.53) TP53L3MBTL1MEN1KMT2ATDP1
SCHEMBL16082503 0.81 TP53 (0.67) TP53MEN1KMT2ATDP1ALDH1A1

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 11 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
EP-1831206-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
WO-2006060381-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARMACEUTICALS, INC. (US) 2006-06-08 WO 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.