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Sugi Predict / Compounds / SCHEMBL2264469

SCHEMBL2264469

SCHEMBL2264469

Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(c3cccc(CC(=O)NS(C)(=O)=O)c3)CC2)ncc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 0.47
▸ CYP2C9 P11712 6/20 0.42
▸ NPY5R Q15761 1/20 0.35
▸ CYP2C19 P33261 5/20 0.35
▸ CYP3A4 P08684 4/20 0.35
▸ CYP2D6 P10635 4/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ P2RY12 Q9H244 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PTK2 Q05397 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ ABCC3 O15438 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ CHRM2 P08172 1/20 0.33

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
SCHEMBL2261966 0.90 KCNH2 (0.52) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL16966438 0.88 KCNH2 (0.47) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL2263215 0.87 KCNH2 (0.45) KCNH2CYP2C9NPY5RCYP2C19CYP3A4
SCHEMBL16966436 0.87 KCNH2 (0.47) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL2264021 0.87 KCNH2 (0.50) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL2259839 0.86 KCNH2 (0.47) KCNH2CYP2C9CHRM4MAPK1PTK2
SCHEMBL2262219 0.85 KCNH2 (0.44) KCNH2CYP2C9NPY5RCYP2C19CYP3A4
SCHEMBL2263668 0.85 KCNH2 (0.46) KCNH2CYP2C9NPY5RCYP2C19CYP3A4
SCHEMBL2260520 0.85 KCNH2 (0.47) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL3816780 0.84 KCNH2 (0.43) KCNH2CYP2C9CYP2C19CHRM4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089384-B1 2-(PIPERIDIN-4-YL)-4-PHENOXY-OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-08-05 — — EP claimed
US-7998969-B2 enzyme inhibitors such as 4-[2-(1-Benzyl-piperidin-4-ylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile, used in combination with other viricides, for preventing and treatment of viral infections such as HIV, AIDS and AIDS related diseases ROCHE PALO ALTO LLC (US) 2011-08-16 — — US claimed
EP-2089384-A2 2-(PIPERIDIN-4-YL)-4-PHENOXY-OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-08-19 — — EP claimed
US-20080146595-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-06-19 — — US claimed
WO-2008071587-A2 2-(PIPERIDIN-4-YL)-4-PHENOXY- OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 — — WO claimed

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-20080146595-A1 Non-nucleoside reverse transcriptase inhibitors NQO2, SAMHD1, POLR2A KCNH2 4033/4885CYP2C9 1382/4885NPY5R 2953/4885

“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.