SCHEMBL5951902

SCHEMBL5951902

Fc1ccc(-c2ccc3nc(-c4[nH]nc5ccccc45)[nH]c3c2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.48
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AMY1A P0DUB6 3/20 0.44
KDR P35968 4/20 0.44
ERBB2 P04626 2/20 0.44
CDK1 P06493 2/20 0.44
MET P08581 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
CBFB Q13951 1/20 0.42
SCD O00767 4/20 0.42
CDK4 P11802 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41
CCND3 P30281 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
SCHEMBL5952326 0.89 NMT1 (0.50) RETKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5953539 0.89 HDAC6 (0.52) RETKDM4ESMN1; SMN2KDRERBB2
SCHEMBL5952104 0.87 NPC1 (0.52) RETKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5951245 0.81 KDR (0.49) RETKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5952574 0.81 CACNA1B (0.46) RETKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5952146 0.81 PDE10A (0.53) RETKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4916396 0.81 PDE10A (0.53) RETKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5952657 0.81 NPC1 (0.50) KDM4ENPC1RAB9ASMN1; SMN2KDR
SCHEMBL6283049 0.80 CDK4 (0.47) RETKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5953056 0.80 GUSB (0.48) KDM4ENPC1RAB9ASMN1; SMN2AMY1A

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 15 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-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 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 (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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 RET 1256/4885KDM4E 522/4885NPC1 3302/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A RET 1528/4885KDM4E 645/4885NPC1 2551/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 RET 75/4885KDM4E 1025/4885NPC1 4816/4885

“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.