SCHEMBL5953047

SCHEMBL5953047

Cc1ccc2[nH]nc(C=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 9/20 0.49
MAPK1 P28482 5/20 0.49
MAPKAPK3 Q16644 5/20 0.49
MAPK6 Q16659 5/20 0.49
MAPKAPK2 P49137 4/20 0.49
MAPKAPK5 Q8IW41 3/20 0.49
ITK Q08881 3/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHEK1 O14757 1/20 0.42
FADS1 O60427 1/20 0.41
ACHE P22303 1/20 0.38
PARP1 P09874 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
SCHEMBL29955085 0.86 ITK (0.46) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL15304355 0.86 ITK (0.46) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL29953125 0.80 KIF11 (0.47) MAP2K4MAPK6MAPKAPK5ITKALDH1A1
SCHEMBL3534726 0.80 KIF11 (0.47) MAP2K4MAPK6MAPKAPK5ITKALDH1A1
SCHEMBL13632256 0.79 GRIA1 (0.36) ALDH1A1KDM4EMAPTHPGDCHEK1
SCHEMBL27384927 0.79 PARP1 (0.42) CHEK1PARP1
SCHEMBL3541493 0.79 FADS1 (0.45) MAP2K4HPGDCHEK1FADS1PARP1
SCHEMBL3538836 0.79 PDPK1 (0.42) MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2
SCHEMBL13609687 0.79 GSK3B (0.47) ALDH1A1KDM4EMAPTHPGDPARP1
SCHEMBL29957520 0.79 GSK3B (0.47) ALDH1A1KDM4EMAPTHPGDPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 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-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 (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 MAP2K4 252/4885MAPK1 154/4885MAPKAPK3 80/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MAP2K4 376/4885MAPK1 23/4885MAPKAPK3 88/4885
US-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 MAP2K4 160/4885MAPK1 64/4885MAPKAPK3 222/4885

“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.