SCHEMBL3474602

SCHEMBL3474602

COCCn1c(=O)c(C(C)C)nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.49
AAK1 Q2M2I8 2/20 0.45
CASR P41180 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGER4 P35408 1/20 0.39
TAF1 P21675 1/20 0.39
BRD2 P25440 1/20 0.39
BRPF1 P55201 1/20 0.39
EP300 Q09472 1/20 0.39
BRD3 Q15059 1/20 0.39
BRDT Q58F21 1/20 0.39
CREBBP Q92793 1/20 0.39
CECR2 Q9BXF3 1/20 0.39
BRD9 Q9H8M2 1/20 0.39

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
SCHEMBL3476109 0.91 BRD4 (0.47) BRD4AAK1CASRKDM4EALDH1A1
SCHEMBL3434978 0.89 AAK1 (0.42) BRD4AAK1TAF1BRD2BRPF1
SCHEMBL3475244 0.87 BRD4 (0.41) BRD4
SCHEMBL3475811 0.86 GCGR (0.41) BRD4
SCHEMBL3432621 0.85 BRD4 (0.50) BRD4AAK1CASRKDM4EALDH1A1
SCHEMBL3376728 0.84 TDP2 (0.42) BRD4AAK1SMN1; SMN2
SCHEMBL3476248 0.84 NR1D1 (0.41) BRD4SMN1; SMN2
SCHEMBL3434368 0.83 BRD4 (0.48) BRD4AAK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3474513 0.82 SCD (0.44) BRD4
SCHEMBL3475796 0.80 TRPC5 (0.46) BRD4AAK1

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-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US claimed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US claimed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 BRD4 268/4885AAK1 2607/4885CASR 365/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 BRD4 268/4885AAK1 2607/4885CASR 365/4885

“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.