SCHEMBL2260898

SCHEMBL2260898

CC1(N)C=CC(C#N)=CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL2152419 0.76 CA1 (0.31) CA1CA2
SCHEMBL21172121 0.73
SCHEMBL20372943 0.73
SCHEMBL29128732 0.72 CA1 (0.31) CA1CA2
SCHEMBL22129255 0.72
SCHEMBL27352175 0.71 CA1 (0.32) CA1CA2
SCHEMBL8577723 0.70
Hydrochloric Acid SCHEMBL7637452 0.68 NOS3 (0.31)
Hydrochloric Acid SCHEMBL7196448 0.68 NOS3 (0.31)
SCHEMBL12858994 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3205659-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSIS COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2020-12-16 EP disclosed
WO-2016013867-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-01-28 WO disclosed
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 disclosed
CN-101553483-B 2-(piperidin-4-yl)-4-phenoxy-or phenylamino-pyrimidine derivatives as non-nucleoside reverse transcriptase inhibitors HOFFMANN LA ROCHE 2013-04-17 CN disclosed
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 disclosed
CN-101553483-A 2-(piperidin-4-yl)-4-phenoxy-or phenylamino-pyrimidine derivatives as non-nucleoside reverse transcriptase inhibitors HOFFMANN LA ROCHE (CH) 2009-10-07 CN disclosed
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 disclosed
US-20080146595-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-06-19 US disclosed
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 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-20080146595-A1 Non-nucleoside reverse transcriptase inhibitors NQO2, SAMHD1, POLR2A CA1 4731/4885CA2 4667/4885

“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.