SCHEMBL8305629

SCHEMBL8305629

COc1cc([N+](=O)[O-])c(NC(C)=O)cc1OCC1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SRC P12931 4/20 0.41
ABL1 P00519 3/20 0.41
ABL2 P42684 3/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDR P35968 7/20 0.40
EGFR P00533 6/20 0.40
FGFR1 P11362 4/20 0.40
FLT1 P17948 4/20 0.40
FLT4 P35916 4/20 0.40
ALDH1A1 P00352 1/20 0.40
BMPR1B O00238 1/20 0.40
PLK4 O00444 1/20 0.40
CIT O14578 1/20 0.40
GAK O14976 1/20 0.40
EPHB6 O15197 1/20 0.40
RIPK2 O43353 1/20 0.40

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
SCHEMBL30017059 0.83 LMNA (0.48) POLBKMT2AMEN1LMNAKDR
SCHEMBL21473658 0.83 LMNA (0.48) POLBKMT2AMEN1LMNAKDR
SCHEMBL4430393 0.82 KDM4E (0.46) POLBKMT2AMEN1LMNASMN1; SMN2
SCHEMBL8305831 0.81 EHMT2 (0.44) SRCABL1ABL2KDREGFR
SCHEMBL1646285 0.80 ALDH1A1 (0.52) POLBKMT2AMEN1LMNASMN1; SMN2
SCHEMBL9396485 0.80 MAPT (0.52) POLBKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5027787 0.79 ABL1 (0.48) KMT2AMEN1SRCABL1ABL2
SCHEMBL1614754 0.79 MAPT (0.49) POLBKMT2AMEN1LMNAALDH1A1
SCHEMBL2588995 0.75 KMT2A (0.47) POLBKMT2AMEN1LMNASMN1; SMN2
SCHEMBL22974948 0.75 SIRT6 (0.48) POLBKMT2AMEN1SRCABL1

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-2305250-B1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUTICS LTD (GB) 2014-03-26 EP disclosed
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-01-09 US disclosed
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-01-09 US disclosed
US-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2011-09-15 US disclosed
US-7977477-B2 Benzimidazole derivatives and their use as protein kinase inhibitors ASTEX THERAPEUTICS, LIMITED (GB) 2011-07-12 US disclosed
EP-2305250-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2011-04-06 EP disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 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 (3 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-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 POLB 612/4885KMT2A 1491/4885MEN1 1818/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 POLB 612/4885KMT2A 1491/4885MEN1 1818/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 POLB 672/4885KMT2A 1433/4885MEN1 3054/4885

“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.