SCHEMBL509282

SCHEMBL509282

Cc1[c]c(C)cc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.42
ALB P02768 2/20 0.42
CYP2A6 P11509 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
VCAM1 P19320 2/20 0.34
TSHR P16473 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
AR P10275 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
GPR35 Q9HC97 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL697903 0.84 TTR (0.35) TTRALBCYP2A6ALDH1A1MEN1
SCHEMBL4190058 0.80 TTR (0.33) TTRALBCYP2A6ALDH1A1MEN1
SCHEMBL1638135 0.80 GPR35 (0.37) TTRALBCYP2A6ALDH1A1AR
SCHEMBL4196636 0.80 CYP2A6 (0.38) TTRALBCYP2A6ALDH1A1GPR35
SCHEMBL3823646 0.80 ALDH1A1 (0.37) TTRALBCYP2A6ALDH1A1AR
SCHEMBL14992722 0.72 CYP1A1 (0.34) HDAC8
SCHEMBL60145 0.71 TTR (0.50) TTRALBCYP2A6ALDH1A1MEN1
SCHEMBL501406 0.71 ALDH1A1 (0.52) TTRALBCYP2A6ALDH1A1MEN1
SCHEMBL1004620 0.71 ALDH1A1 (0.52) TTRALBCYP2A6ALDH1A1MEN1
SCHEMBL289531 0.70

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 250 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230120707-A1 Compounds and Method of Treating COVID-19 PFIZER INC. (US) 2023-04-20 US claimed
CN-108530376-B Organic small molecule material based on 2, 6-dimethyl-4-cyanophenyl receptor unit and preparation and application thereof 华南理工大学 2021-10-22 CN claimed
WO-2021067374-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS INCYTE CORPORATION (US) 2021-04-08 WO claimed
US-20210094935-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS INCYTE CORPORATION 2021-04-01 US claimed
US-10381579-B2 Stability OLED materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-08-13 US claimed
CN-108530376-A A kind of organic small molecule material and preparation and application based on 2,6- dimethyl -4- cyanophenyl receptor units 华南理工大学 2018-09-14 CN claimed
US-20150249225-A1 STABILITY OLED MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-09-03 US claimed
US-9051344-B2 Stability OLED materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2015-06-09 US claimed
CN-103360398-B Triazolopyrimidine HIV-1 retrovirus inhibitor and its preparation method and application thereof UNIV SHANDONG 2015-03-25 CN claimed
CN-104016990-A Imidazopyrazine derivatives as well as preparation method and application thereof UNIV SHANDONG 2014-09-03 CN claimed
WO-1999050250-A1 HIV INHIBITING PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 WO claimed
EP-0945443-A1 HIV inhibiting pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1999-09-29 EP claimed
US-5795905-A 3-AMINO-5-PHENYL-1,2,4-TRIAZOLES NEUROCRINE BIOSCIENCES, INC. (US) 1998-08-18 US claimed
EP-0627926-B1 PEPTIDYL DERIVATIVES AS INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME MERCK & CO INC (US) 1998-08-05 EP claimed
EP-0846108-A1 AMINO-SUBSTITUTED THIADIAZOLES, PYRIMIDINES, TRIAZINES OR TRIAZOLES USEFUL AS CTF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 1998-06-10 EP claimed
EP-0627926-A4 PEPTIDYL DERIVATIVES AS INHIBITORS OF INTERLEUKIN-1-g(b) CONVERTING ENZYME. MERCK & CO INC (US) 1997-01-29 EP claimed
WO-1996039400-A1 AMINO-SUBSTITUTED THIADIAZOLES, PYRIMIDINES, TRIAZINES OR TRIAZOLES USEFUL AS CTF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 1996-12-12 WO claimed
US-5430128-A Peptidyl derivatives as inhibitors of interleukin-1β converting enzyme MERCK & CO., INC. (US) 1995-07-04 US claimed
EP-0627926-A1 PEPTIDYL DERIVATIVES AS INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Merck & Co., Inc. (a New Jersey corp.) (US) 1994-12-14 EP claimed
WO-1993016710-A1 PEPTIDYL DERIVATIVES AS INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME MERCK & CO., INC. (US) 1993-09-02 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 (4 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-20230120707-A1 Compounds and Method of Treating COVID-19 ACE2, ACE, SARS1 TTR 1262/4885ALB 474/4885CYP2A6 1165/4885
US-10381579-B2 Stability OLED materials and devices OCIAD2, OCIAD1, OSBP2 TTR 1062/4885ALB 1380/4885CYP2A6 2453/4885
US-20150249225-A1 STABILITY OLED MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 TTR 1062/4885ALB 1380/4885CYP2A6 2453/4885
US-20210094935-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS FGFR3, FGFR1, FGFR2 TTR 4752/4885ALB 4793/4885CYP2A6 1313/4885

“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.