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Sugi Predict / Compounds / SCHEMBL2261187

SCHEMBL2261187

SCHEMBL2261187

Cc1cc(C#N)cc(Cl)c1Oc1ccnc(NC2CCN(Cc3ccc(C(N)=O)cc3Cl)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.57
▸ CYP2C9 P11712 4/20 0.53
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ ACHE P22303 5/20 0.38
▸ BACE1 P56817 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP2C19 P33261 2/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ MAP3K7 O43318 1/20 0.35
▸ MAP4K2 Q12851 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ MAP3K20 Q9NYL2 1/20 0.35
▸ SSTR5 P35346 1/20 0.35
▸ PRKAA2 P54646 2/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 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
SCHEMBL2262541 0.97 KCNH2 (0.60) KCNH2CYP2C9CYP3A4CYP2D6ACHE
SCHEMBL2261425 0.88 KCNH2 (0.49) KCNH2CYP2C9CYP3A4CYP2D6ACHE
SCHEMBL2263725 0.87 KCNH2 (0.62) KCNH2CYP2C9CYP3A4CYP2D6ALDH1A1
SCHEMBL2263684 0.87 KCNH2 (0.53) KCNH2CYP2C9CYP3A4CYP2D6ACHE
SCHEMBL2264867 0.86 KCNH2 (0.47) KCNH2CYP2C9CYP3A4CYP2D6ACHE
SCHEMBL2260140 0.86 KCNH2 (0.53) KCNH2CYP2C9CYP3A4CYP2D6ACHE
SCHEMBL2265512 0.86 KCNH2 (0.50) KCNH2CYP2C9CYP3A4CYP2C19
SCHEMBL2265506 0.86 KCNH2 (0.50) KCNH2CYP2C9CYP3A4CYP2C19
SCHEMBL2261090 0.85 KCNH2 (0.48) KCNH2CYP2C9NOS1NOS2
SCHEMBL2262546 0.84 KCNH2 (0.66) KCNH2CYP2C9CYP3A4CYP2D6ALDH1A1

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 1382/4885CYP3A4 832/4885

“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.