SCHEMBL9975829

SCHEMBL9975829

CC1CC=C(c2ccncc2-c2ccsc2C=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.36
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
NR1I2 O75469 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRM2 Q14416 1/20 0.31
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL10382872 0.74 CYP17A1 (0.38) CCNCCDK8
SCHEMBL9975865 0.71 KRAS (0.36) KRASCCNCCDK8NR1I2KCNH2
SCHEMBL2107411 0.67 AXL (0.36) NR1I2KCNH2GRM2
SCHEMBL9975784 0.65 KDM4E (0.44) KRAS
SCHEMBL9696347 0.64 PRKDC (0.41) CCNCCDK8
SCHEMBL16456303 0.63 TNKS (0.56) KRASNR1I2KCNH2GRM2
SCHEMBL16456319 0.63 TNKS (0.56) KRASNR1I2KCNH2GRM2
SCHEMBL16456394 0.63 TNKS (0.56) KRASNR1I2KCNH2GRM2
SCHEMBL6850751 0.61 ADORA2A (0.37) CCNCCDK8
SCHEMBL27843011 0.61 CYP2A6 (0.58)

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
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
WO-2012083105-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-06-21 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-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E KRAS 1373/4885CCNC 554/4885CDK8 1877/4885

“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.