SCHEMBL5952282

SCHEMBL5952282

O=C(Nc1c[nH]nc1-c1nc2cc3c(cc2[nH]1)CCC3)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
PTPN7 P35236 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 1/20 0.36
PDPK1 O15530 2/20 0.36
MAPT P10636 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
FGFR1 P11362 1/20 0.35

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
SCHEMBL13374059 0.91 KMT2A (0.39) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL13373638 0.89 HRH4 (0.44) KMT2AKDM4EALDH1A1HSD17B10PDPK1
SCHEMBL13373938 0.87 ABCC1 (0.49) ABCC1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6684441 0.84 ABCC1 (0.43) ABCC1MEN1KMT2AKDM4EALDH1A1
SCHEMBL13375252 0.82 AURKA (0.36) ABCC1MEN1KMT2AKDM4EALDH1A1
SCHEMBL13375256 0.81 MAPT (0.41) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL4130323 0.81 FGFR1 (0.41) PDPK1FGFR1FGFR2FGFR3KDR
SCHEMBL8305375 0.81 PDPK1 (0.47) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL5952616 0.80 SYK (0.44) ABCC1KDM4EALDH1A1HSD17B10RAB9A
Hydrochloric Acid SCHEMBL4134109 0.80 FGFR1 (0.40) PDPK1FGFR1FGFR2FGFR3KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (2 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 ABCC1 2288/4885MEN1 2639/4885KMT2A 1678/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ABCC1 1043/4885MEN1 1460/4885KMT2A 1844/4885

“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.