SCHEMBL10100601

SCHEMBL10100601

Cc1csc(-c2cnc(N)c(-c3nnnn3-c3ccc(N4CCNCC4)c(F)c3F)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.36
ACVR1 Q04771 13/20 0.36
RIPK2 O43353 2/20 0.36
NOD2 Q9HC29 2/20 0.36
FYN P06241 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
ALK Q9UM73 1/20 0.33
KCNH2 Q12809 2/20 0.33
JAK2 O60674 1/20 0.32

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
SCHEMBL10100784 0.95 TGFBR1 (0.35) TGFBR1ACVR1RIPK2NOD2FYN
SCHEMBL10100600 0.84 EPHX2 (0.43) TGFBR1ACVR1RIPK2NOD2
SCHEMBL2357723 0.82 LRRK2 (0.44) TGFBR1ACVR1RIPK2NOD2
SCHEMBL10100782 0.80 EPHX2 (0.43) TGFBR1ACVR1RIPK2NOD2FYN
SCHEMBL10100556 0.79 NEK2 (0.35) FYNCDK2
SCHEMBL10100559 0.78 KIT (0.37) MKNK1ALK
SCHEMBL10100514 0.78 GRIN2B (0.32)
SCHEMBL10100575 0.78 KCNN4 (0.33)
SCHEMBL10100554 0.78 FYN (0.38) FYNCDK2
SCHEMBL10100781 0.78 LRRK2 (0.43) TGFBR1ACVR1RIPK2NOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
WO-2010048131-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 TGFBR1 1365/4885ACVR1 576/4885RIPK2 1117/4885

“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.