SCHEMBL5952689

SCHEMBL5952689

Cc1cc2nc(-c3n[nH]cc3C(=O)NCC3CC3)[nH]c2cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.40
HPSE Q9Y251 2/20 0.40
MAPK14 Q16539 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR4 Q13639 2/20 0.38
PRSS12 P56730 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ACACB O00763 2/20 0.37
ACACA Q13085 2/20 0.37
CHRM1 P11229 1/20 0.36
HTR3A P46098 1/20 0.36

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
SCHEMBL5952720 0.84 HPSE (0.42) FLT3HPSEKDM4EALDH1A1NPC1
SCHEMBL5951652 0.84 HPSE (0.43) FLT3HPSEMAPK14KDM4EALDH1A1
SCHEMBL13373858 0.83 KDM4E (0.42) FLT3HPSEKDM4EALDH1A1NPC1
SCHEMBL5952881 0.83 F9 (0.42) HPSEKDM4EALDH1A1NPC1RAB9A
SCHEMBL5952713 0.80 NPC1 (0.47) HPSEKDM4EALDH1A1NPC1RAB9A
SCHEMBL13373862 0.80 FGFR1 (0.45) FLT3HPSEKDM4EALDH1A1NPC1
SCHEMBL5952676 0.78 HPSE (0.46) HPSEKDM4EALDH1A1NPC1RAB9A
SCHEMBL13373874 0.78 HPSE (0.41) HPSEKDM4EALDH1A1NPC1RAB9A
SCHEMBL5953146 0.77 HPSE (0.45) HPSENPC1RAB9A
SCHEMBL5952758 0.77 HPSE (0.42) HPSEKDM4EALDH1A1NPC1RAB9A

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 FLT3 161/4885HPSE 4165/4885MAPK14 62/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A FLT3 176/4885HPSE 4456/4885MAPK14 69/4885

“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.