SCHEMBL6070098

SCHEMBL6070098

CSc1nccc(-c2[nH]ncc2C#N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK14 Q16539 3/20 0.38
CSNK1D P48730 2/20 0.38
LMNA P02545 1/20 0.38
JAK3 P52333 3/20 0.38
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CCNA1 P78396 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DYRK3 O43781 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 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
SCHEMBL6069697 0.78 LMNA (0.40) L3MBTL1KDM4EMAPK1NPSR1MAPK14
SCHEMBL6070023 0.77 TGFBR1 (0.32) MAPK14MAPK10JAK2TGFBR1ROCK2
SCHEMBL6070097 0.74 TGFBR1 (0.60) L3MBTL1KDM4EMAPK1NPSR1MAPK14
SCHEMBL6132086 0.72 TGFBR1 (0.50) L3MBTL1KDM4EMAPK1NPSR1MAPK14
SCHEMBL6071083 0.71 CDK2 (0.51) CDK2
SCHEMBL29629023 0.71 CYP4F2 (0.37) NPSR1MAPK14CSNK1DJAK3CDK2
SCHEMBL2965363 0.70 LMNA (0.47) L3MBTL1KDM4EMAPK1NPSR1MAPK14
SCHEMBL2963770 0.70 LMNA (0.47) L3MBTL1KDM4EMAPK1MAPK14LMNA
SCHEMBL6070786 0.68 LMNA (0.44) L3MBTL1KDM4EMAPK1NPSR1MAPK14
SCHEMBL16877199 0.68 LMNA (0.42) L3MBTL1KDM4EMAPK1NPSR1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109204-B2 controlling signal transduction; anticancer agents, antitumor agents, atherosclerosis, vision defects, antidiabetic agents, antiinflammatory agents MERCK & CO., INC. (US) 2006-09-19 US disclosed
US-20040235875-A1 drugs used for signal transduction modulation, and for prophylaxis of angiogenesis, cancers, tumors, atherosclerosis, vision disorders and inflammatory diseases in mammals MERCK SHARP & DOHME CORP. 2004-11-25 US disclosed
WO-2003011837-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-13 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 (1 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-20040235875-A1 drugs used for signal transduction modulation, and for prophylaxis of angiogenesis, cancers, tumors, atherosclerosis, vision disorders and inflammatory diseases in mammals FLT4, KDR, FLT1 L3MBTL1 3645/4885KDM4E 4112/4885MAPK1 35/4885

“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.