SCHEMBL10054038

SCHEMBL10054038

Cc1cc(-c2ncc(C)s2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.43
SRC P12931 1/20 0.42
CDK2 P24941 1/20 0.42
ZAP70 P43403 1/20 0.42
SYK P43405 1/20 0.42
UHRF1 Q96T88 1/20 0.42
P2RX3 P56373 7/20 0.41
P2RX2 Q9UBL9 7/20 0.41
PIK3CB P42338 1/20 0.39
NFATC1 O95644 1/20 0.39
MAP4K4 O95819 1/20 0.37
MAPK14 Q16539 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
WNT3A P56704 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
SCHEMBL10022358 0.80 TLR8 (0.41) DYRK1AUHRF1PIK3CBNFATC1WNT3A
SCHEMBL1722963 0.79 CDC7 (0.53) SRCCDK2ZAP70SYKGABRA1
SCHEMBL324719 0.77 CDC7 (0.49) PIK3CBCCNCCDK8WNT3A
SCHEMBL17053172 0.75 DYRK1A (0.39) DYRK1AUHRF1P2RX3P2RX2PIK3CB
SCHEMBL6508240 0.75 HSD17B1 (0.54) UHRF1MAPK14WNT3A
SCHEMBL1896511 0.75 DYRK1A (0.65) DYRK1ACDK2UHRF1PIK3CBNFATC1
SCHEMBL30308690 0.75 DYRK1A (0.65) DYRK1ACDK2UHRF1PIK3CBNFATC1
SCHEMBL18725088 0.75 HDAC4 (0.44) SRCCDK2ZAP70SYKGABRA1
SCHEMBL2095263 0.74 MEN1 (0.53)
SCHEMBL20288276 0.73 NOS1 (0.39) SRCCDK2ZAP70SYKP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US 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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA DYRK1A 698/4885SRC 146/4885CDK2 224/4885

“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.