SCHEMBL5378281

SCHEMBL5378281

CC(=O)N1CCN(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
ALDH1A1 P00352 3/20 0.48
CASP6 P55212 1/20 0.48
GFER P55789 1/20 0.48
GPR174 Q9BXC1 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL18134044 0.82 HPGD (0.64) MAPTALDH1A1MAPK1HTTMEN1
SCHEMBL10360254 0.81 HPGD (0.68) MAPTALDH1A1CASP6GFERMAPK1
SCHEMBL27584378 0.81 HPGD (0.41) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL5371361 0.80 GFER (0.55) MAPTALDH1A1CASP6GFERMEN1
SCHEMBL18131826 0.80 GAA (0.52) MAPTALDH1A1GFERHTTHPGD
SCHEMBL5135273 0.80 MAPT (0.55) MAPTALDH1A1MAPK1HPGDLMNA
SCHEMBL5058364 0.77 MAPT (0.71) MAPTALDH1A1CASP6GFERGPR174
SCHEMBL5074347 0.77 HPGD (0.42) MAPTALDH1A1MAPK1KMT2AHPGD
SCHEMBL14432027 0.77 HPGD (0.69) MAPTALDH1A1GPR174MAPK1HTT
SCHEMBL27584379 0.76 HPGD (0.41) MAPTALDH1A1MAPK1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312215-B2 Benzimidazole C-2 heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312215-B2 Benzimidazole C-2 heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312215-B2 Benzimidazole C-2 heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7232826-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-19 US disclosed
US-7232826-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-19 US disclosed
US-7232826-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-19 US disclosed
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 US disclosed
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 US disclosed
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 US disclosed
US-7081454-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2006-07-25 US disclosed
EP-1651611-A2 BENZIMIDAZOLE C-2 HETEROCYCLES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-05-03 EP disclosed
US-20060079518-A1 Novel tyrosine kinase inhibitors WITTMAN MARK D 2006-04-13 US disclosed
EP-1545543-A2 NOVEL TYROSINE KINASES INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
WO-2005021510-A2 BENZIMIDAZOLE C-2 HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20050054655-A1 Benzimidazole C-2 heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
US-20040092514-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-05-13 US disclosed
WO-2004031401-A2 NOVEL TYROSINE KINASES INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
US-20040044203-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-04 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 (4 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-20050054655-A1 Benzimidazole C-2 heterocycles as kinase inhibitors CDK2, ERBB2, ABL1 MAPT 4312/4885ALDH1A1 2026/4885CASP6 1798/4885
US-20040044203-A1 Novel tyrosine kinase inhibitors ABL1, YES1, FER MAPT 4113/4885ALDH1A1 1038/4885CASP6 2884/4885
US-20040092514-A1 Novel tyrosine kinase inhibitors ABL1, ERBB2, ROS1 MAPT 4085/4885ALDH1A1 1508/4885CASP6 2192/4885
US-20060079518-A1 Novel tyrosine kinase inhibitors ABL1, FER, ERBB2 MAPT 3720/4885ALDH1A1 1282/4885CASP6 2915/4885

“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.