SCHEMBL5952946

SCHEMBL5952946

COC(=O)N1CCc2[nH]nc(-c3nc4cc(C)c(C)cc4[nH]3)c2C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIP5K1C O60331 1/20 0.42
MAPK1 P28482 1/20 0.41
ITK Q08881 2/20 0.41
CREBBP Q92793 6/20 0.41
EP300 Q09472 5/20 0.41
NPC1 O15118 1/20 0.41
BRD4 O60885 1/20 0.41
RBP4 P02753 3/20 0.40
HPSE Q9Y251 1/20 0.39
LMNA P02545 2/20 0.38
PABPC1 P11940 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL5951987 0.89 MAPK1 (0.39) PIP5K1CMAPK1ITKCREBBPNPC1
SCHEMBL5953301 0.89 MAPK1 (0.54) PIP5K1CMAPK1CREBBPEP300BRD4
SCHEMBL5952249 0.86 MAPK1 (0.41) PIP5K1CMAPK1ITKCREBBPEP300
SCHEMBL5953090 0.86 MAPK1 (0.41) PIP5K1CMAPK1ITKCREBBPEP300
SCHEMBL5953529 0.86 ITK (0.42) PIP5K1CMAPK1ITKCREBBPBRD4
SCHEMBL5953002 0.86 MAPK1 (0.41) PIP5K1CMAPK1ITKCREBBPEP300
SCHEMBL5953096 0.85 PIP5K1C (0.44) PIP5K1CMAPK1ITKCREBBPEP300
SCHEMBL5952094 0.85 CREBBP (0.49) PIP5K1CMAPK1ITKCREBBPEP300
SCHEMBL5953484 0.85 MAPK1 (0.41) PIP5K1CMAPK1ITKCREBBPEP300
SCHEMBL5953099 0.84 KMT2A (0.43) PIP5K1CMAPK1ITKCREBBPEP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 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 PIP5K1C 202/4885MAPK1 154/4885ITK 979/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A PIP5K1C 218/4885MAPK1 23/4885ITK 1317/4885

“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.