SCHEMBL4498786

SCHEMBL4498786

O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(NCc2ccc(Cl)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.53
TP53 P04637 3/20 0.51
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
DHODH Q02127 1/20 0.48
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ACKR3 P25106 1/20 0.45

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
SCHEMBL1377354 0.94 TP53 (0.51) NAMPTTP53HTTSMN1; SMN2TDP1
SCHEMBL1377415 0.93 KMT2A (0.56) NAMPTTP53HTTSMN1; SMN2TDP1
SCHEMBL1378086 0.92 MEN1 (0.53) NAMPTTP53HTTSMN1; SMN2TDP1
SCHEMBL1381394 0.88 TP53 (0.48) NAMPTTP53HTTSMN1; SMN2TDP1
SCHEMBL4499599 0.87 NAMPT (0.53) NAMPTTP53TDP1DHODH
SCHEMBL4506495 0.87 TP53 (0.49) NAMPTTP53HTTSMN1; SMN2TDP1
SCHEMBL1378302 0.86 ROCK2 (0.53) NAMPTTP53TSHRHPGDALDH1A1
SCHEMBL1379838 0.85 HTT (0.57) TP53HTTSMN1; SMN2TDP1LMNA
SCHEMBL4505227 0.85 ALDH1A1 (0.58) NAMPTTP53HTTTDP1LMNA
SCHEMBL1377244 0.85 HTT (0.56) TP53HTTSMN1; SMN2TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521448-B2 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521448-B2 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521448-B2 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-20060189629-A1 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1664021-A1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS OSI Pharmaceuticals, Inc. (US) 2006-06-07 EP disclosed
WO-2005021531-A1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-03-10 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-20060189629-A1 N-substituted benzimidazolyl c-Kit inhibitors KIT, CHUK, TNNI3K NAMPT 588/4885TP53 119/4885HTT 4544/4885

“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.