Sugi Predict

Sugi Predict / Compounds / SCHEMBL3842214

SCHEMBL3842214

SCHEMBL3842214

Cc1cc(Br)cc(C)c1Oc1nc(N(C(=O)O)c2ccc(C#N)cc2)nc2ccn(C)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 2/20 0.36
▸ CYP2C9 P11712 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ ABCC3 O15438 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ OPRM1 P35372 1/20 0.35

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
SCHEMBL4105793 0.89 CRHR1 (0.34) CRHR1CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL4111997 0.88 CYP2C9 (0.37) CYP2C9CYP2C19CYP3A4CYP2D6KCNH2
SCHEMBL4099220 0.84 CRHR1 (0.34) CRHR1KDR
SCHEMBL4110252 0.78 CYP2C9 (0.35) CYP2C9CYP2C19KCNH2SCN9A
SCHEMBL10195626 0.76 CRHR1 (0.34) CRHR1KCNH2SCN9A
SCHEMBL4110951 0.75 CRHR1 (0.34) CRHR1
SCHEMBL4110247 0.73 MYC (0.34) CYP2C9CYP2C19KDRSCN9A
SCHEMBL4106669 0.72 CYP2C9 (0.33) CYP2C9CYP2C19CYP3A4CYP2D6KCNH2
SCHEMBL13517073 0.70 CRHR1 (0.31) CRHR1
SCHEMBL1715576 0.69 CRHR1 (0.39) CRHR1CYP2C9CYP2C19CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 — — US disclosed
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS Andrea Boesciences, Inc. (US) 2012-11-01 — — US disclosed
EP-2220091-B1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2012-07-25 — — EP disclosed
US-8207178-B2 Fused pyrimidines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-06-26 — — US disclosed
EP-2220091-A2 REVERSE TRANSCRIPTASE INHIBITORS Ardea Biosciences, Inc. (US) 2010-08-25 — — EP disclosed
WO-2009079412-A2 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC. (US) 2009-06-25 — — WO disclosed
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES (US) 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 (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-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP CRHR1 4372/4885CYP2C9 2156/4885CYP2C19 1979/4885
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP CRHR1 4372/4885CYP2C9 2156/4885CYP2C19 1979/4885

“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.