SCHEMBL4238382

SCHEMBL4238382

Cc1ccc(Cl)c(C(=O)N2CC[C@@H](Nc3cnc4ccccc4n3)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.49
HCRTR2 O43614 3/20 0.49
SYK P43405 1/20 0.45
CCNK O75909 7/20 0.44
CDK12 Q9NYV4 7/20 0.44
CCNA2 P20248 6/20 0.44
CDK2 P24941 6/20 0.44
CDK7 P50613 6/20 0.44
CCNH P51946 6/20 0.44
MNAT1 P51948 6/20 0.44
JAK3 P52333 3/20 0.43
GPR6 P46095 2/20 0.43

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
SCHEMBL4238388 1.00 HCRTR1 (0.49) HCRTR1HCRTR2SYKCCNKCDK12
SCHEMBL4245775 0.91 CCNK (0.44) CCNKCDK12CCNA2CDK2CDK7
SCHEMBL4239234 0.91 CCNK (0.44) CCNKCDK12CCNA2CDK2CDK7
SCHEMBL4245780 0.91 CCNK (0.44) CCNKCDK12CCNA2CDK2CDK7
SCHEMBL3659844 0.91 CCNK (0.44) CCNKCDK12CCNA2CDK2CDK7
SCHEMBL4244736 0.89 GFER (0.45) HCRTR1HCRTR2SYKCCNKCDK12
SCHEMBL4244738 0.89 GFER (0.45) HCRTR1HCRTR2SYKCCNKCDK12
SCHEMBL4241798 0.88 CCNA2 (0.49) HCRTR1HCRTR2SYKCCNKCDK12
SCHEMBL4241795 0.88 CCNA2 (0.49) HCRTR1HCRTR2SYKCCNKCDK12
SCHEMBL4245733 0.86 HCRTR1 (0.52) HCRTR1HCRTR2SYKCCNKCDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, MTNR1A HCRTR1 1/4885HCRTR2 2/4885SYK 3250/4885

“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.