SCHEMBL1484446

SCHEMBL1484446

Cc1cc(C#N)cc(C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.38
ALDH1A1 P00352 1/20 0.38
XDH P47989 1/20 0.36
ERN1 O75460 1/20 0.34
TTR P02766 1/20 0.34
ALB P02768 1/20 0.34
IDH1 O75874 1/20 0.34
GRM5 P41594 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
RAF1 P04049 1/20 0.33
VCAM1 P19320 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
FBP1 P09467 1/20 0.32

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
SCHEMBL29952978 1.00 CYP2A6 (0.38) CYP2A6ALDH1A1XDHERN1TTR
SCHEMBL2161087 0.84 VCAM1 (0.38) TTRALBVCAM1PTGS1PTGS2
SCHEMBL29951645 0.84 VCAM1 (0.38) TTRALBVCAM1PTGS1PTGS2
SCHEMBL16952154 0.79 TTR (0.39) CYP2A6ALDH1A1XDHTTRALB
SCHEMBL12798260 0.79 TP53 (0.42) CYP2A6ALDH1A1XDHTTRALB
SCHEMBL501406 0.77 ALDH1A1 (0.52) CYP2A6ALDH1A1XDHTTRALB
SCHEMBL280640 0.77 CYP2A6 (0.52) CYP2A6ALDH1A1ERN1
SCHEMBL1004620 0.77 ALDH1A1 (0.52) CYP2A6ALDH1A1XDHTTRALB
SCHEMBL3129625 0.77 CYP2A6 (0.52) CYP2A6ALDH1A1ERN1PTGS2
SCHEMBL23544801 0.76 ALDH1A1 (0.35) CYP2A6ALDH1A1XDHTTRALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4626891-A1 FUSED PYRIMIDINES AS MASP-2 INHIBITORS Omeros Corporation (US) 2025-10-08 EP disclosed
US-20240228499-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2024-07-11 US disclosed
WO-2024118840-A1 FUSED PYRIMIDINES AS MASP-2 INHIBITORS OMEROS CORPORATION (US) 2024-06-06 WO disclosed
WO-2023208151-A1 USP INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION 北京华森英诺生物科技有限公司 2023-11-02 WO disclosed
CN-116621778-A USP inhibitor, preparation method and application thereof 北京华森英诺生物科技有限公司 2023-08-22 CN disclosed
US-20230250097-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF Apollo Therapeutics Limited (GB) 2023-08-10 US disclosed
US-9873674-B2 C-Rel inhibitors and uses thereof CORNELL UNIVERSITY (US) 2018-01-23 US disclosed
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 US disclosed
US-20110184029-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-07-28 US disclosed
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 US disclosed
EP-2167476-A2 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS Korea Research Institute Of Chemical Technology (KR) 2010-03-31 EP disclosed
WO-2010009047-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-01-21 WO disclosed
WO-2009005674-A2 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-01-08 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 (5 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-20240228499-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, SPINT2, SERPINB1 CYP2A6 4244/4885ALDH1A1 4721/4885XDH 2433/4885
US-20110184029-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DPYD, TYMP, PNPO CYP2A6 118/4885ALDH1A1 460/4885XDH 122/4885
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLR1E, POLR2H CYP2A6 1885/4885ALDH1A1 1800/4885XDH 667/4885
US-20230250097-A1 BENZO[C][2,6]NAPHTHYRIDINE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USES THEREOF CSNK1A1, CSNK1D, CSNK2A1 CYP2A6 1259/4885ALDH1A1 2913/4885XDH 2685/4885
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLR1E, POLR2H CYP2A6 1885/4885ALDH1A1 1800/4885XDH 667/4885

“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.