SCHEMBL2297391

SCHEMBL2297391

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3cccnc3Sc3ccccc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.44
KMT2A Q03164 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 4/20 0.40
KDM4E B2RXH2 2/20 0.40
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL2291129 0.93 ATM (0.44) ATMKMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL5296372 0.90 LMNA (0.48) ATMKMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL12420935 0.90 ATM (0.43) ATMKMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL5292979 0.87 RAB9A (0.43) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL12421965 0.84 KMT2A (0.46) ATMKMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL2292549 0.84 GRM4 (0.48) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL2295816 0.84 RAB9A (0.45) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2295353 0.84 RAB9A (0.45) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2299706 0.83 KMT2A (0.52) KMT2AALDH1A1MAPT
SCHEMBL2296926 0.83 KMT2A (0.49) KMT2ASMN1; SMN2NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US claimed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US claimed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 ATM 3041/4885KMT2A 3680/4885SMN1; SMN2 2159/4885

“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.