SCHEMBL13757367

SCHEMBL13757367

CC(C)N1Cc2cc(F)ccc2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
BRD4 O60885 2/20 0.42
KCNH2 Q12809 1/20 0.40
HTR5A P47898 2/20 0.40
XIAP P98170 1/20 0.39
BIRC2 Q13490 1/20 0.39
KMT2A Q03164 1/20 0.38
ALK Q9UM73 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL30937701 0.80 CDK5 (0.39) MAPK1CDK5CDK5R1KCNH2KMT2A
SCHEMBL30937521 0.80 CDK5 (0.39) MAPK1CDK5CDK5R1KCNH2KMT2A
SCHEMBL8134588 0.79 BRD4 (0.66) CDK5CDK5R1BRD4KCNH2
SCHEMBL828518 0.77 BRD4 (0.61) MAPK1CDK5CDK5R1BRD4XIAP
SCHEMBL30937529 0.76 MAPK1 (0.38) MAPK1CDK5CDK5R1BRD4KMT2A
SCHEMBL30912755 0.76 HTR5A (0.46) MAPK1CDK5CDK5R1BRD4HTR5A
SCHEMBL18086763 0.74 KCNH2 (0.57) KCNH2DPP4DPP8DPP9DPP7
SCHEMBL29546920 0.74 P2RX7 (0.47) MAPK1CDK5CDK5R1BRD4KCNH2
SCHEMBL29546585 0.73 CDK5 (0.49) CDK5CDK5R1BRD4HTR5A
SCHEMBL29546888 0.72 CDK5 (0.51) CDK5CDK5R1BRD4KCNH2HTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 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 (2 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 MAPK1 3854/4885CDK5 857/4885CDK5R1 2238/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MAPK1 3854/4885CDK5 857/4885CDK5R1 2238/4885

“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.