SCHEMBL13295656

SCHEMBL13295656

Fc1cccc(F)c1Cn1c(-c2c(F)cccc2F)nc2cnccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.47
RPS6KA5 O75582 9/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.39
DYRK1A Q13627 2/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38
ROCK1 Q13464 1/20 0.38
RPS6KA1 Q15418 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
SCHEMBL13295657 0.89 TP53 (0.42) BRD4RPS6KA5TP53MAPTGAA
SCHEMBL5201134 0.83 TP53 (0.57) TP53MAPTGAA
SCHEMBL5201901 0.78 NLRP3 (0.47) TP53MAPTGAA
SCHEMBL5204739 0.77 MAPT (0.44) TP53MAPTGAACDK2
SCHEMBL5204267 0.77 PDE2A (0.56) TP53MAPTGAACDK2
SCHEMBL13137745 0.77 CYP1A2 (0.44)
SCHEMBL5200987 0.76 RORC (0.50) TP53MAPTGAACDK2
SCHEMBL5201783 0.75 PDE2A (0.47) TP53MAPTGAACDK2
SCHEMBL13137748 0.75 MYC (0.40) TP53MAPTGAACDK2
SCHEMBL5202514 0.73 F7 (0.46) MAPTGAAF7F3

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-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US disclosed
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US disclosed
US-7737162-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2010-06-15 US disclosed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 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-20100004281-A1 VIRAL INHIBITORS ZC3HAV1, MAVS, HAVCR2 BRD4 132/4885RPS6KA5 2480/4885TP53 453/4885

“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.