SCHEMBL5953065

SCHEMBL5953065

CCOc1ccc2[nH]nc(I)c2c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.62
MAPK8 P45983 4/20 0.51
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
LRRK2 Q5S007 9/20 0.46
MAPT P10636 1/20 0.45
ESR2 Q92731 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL11752456 0.82 TTK (0.64) TTKMAPK8ALDH1A1HSD17B10MEN1
SCHEMBL29923833 0.81 ALDH1A1 (0.53) TTKALDH1A1HSD17B10MEN1KMT2A
SCHEMBL5952020 0.81 ALDH1A1 (0.53) TTKALDH1A1HSD17B10MEN1KMT2A
SCHEMBL16023544 0.81 TTK (0.43) TTKMAPK8LRRK2
SCHEMBL2574384 0.79 TTK (0.55) TTKKDM4EMAPT
SCHEMBL26399495 0.78 TTK (0.59) TTKMAPK8ALDH1A1HSD17B10MEN1
SCHEMBL2570488 0.78 TTK (0.43) TTKMAPK8HSD17B10KDM4EMAPT
SCHEMBL16011905 0.77 LRRK2 (0.47) LRRK2
SCHEMBL16023581 0.77 LRRK2 (0.47) TTKLRRK2
SCHEMBL3536445 0.77 TTK (0.58) TTKMAPK8ALDH1A1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TTK 832/4885MAPK8 129/4885ALDH1A1 1389/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A TTK 1162/4885MAPK8 107/4885ALDH1A1 862/4885

“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.