SCHEMBL15764110

SCHEMBL15764110

CC(C)c1cc(O)cc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 2/20 0.39
GABRA1 P14867 6/20 0.39
GABRB2 P47870 4/20 0.39
GABRB1 P18505 4/20 0.37
TAAR1 Q96RJ0 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
RPS6KA3 P51812 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 3/20 0.34
SLC6A2 P23975 2/20 0.34
HTR2B P41595 2/20 0.34
FAAH O00519 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
GABRG2 P18507 1/20 0.34

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
SCHEMBL4715891 0.88 CA1 (0.44) CA1CA2GABRA1GABRB2GABRB1
SCHEMBL15459969 0.80 CA1 (0.38) CA1CA2GABRA1GABRB2GABRB1
SCHEMBL27300648 0.78 GABRA1 (0.43) CA1CA2GABRA1GABRB2GABRB1
SCHEMBL8142968 0.77 CA1 (0.44) CA1CA2GABRA1GABRB2GABRB1
SCHEMBL9945882 0.76 CES2 (0.50) CA1CA2GABRA1GABRB2GABRB1
SCHEMBL24920131 0.75 CA1 (0.39) CA1CA2GABRA1GABRB2GABRB1
SCHEMBL19658127 0.75 TAAR1 (0.44) CA1CA2GABRA1GABRB2GABRB1
Ethane SCHEMBL27965993 0.75 CA1 (0.45) CA1CA2GABRA1GABRB2TAAR1
SCHEMBL12248246 0.74 GABRA1 (0.50) CA1CA2GABRA1GABRB2CES2
SCHEMBL2737277 0.74 RAPGEF4 (0.36) CA1CA2GABRA1GABRB2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219926-A1 SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING FACIT INC. (CA) 2023-07-13 US disclosed
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-02 US disclosed
EP-4001269-A1 BENZOISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER Amgen Inc. (US) 2022-05-25 EP disclosed
US-11319299-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding Propellon Therapeutics Inc. (CA) 2022-05-03 US disclosed
US-11285135-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2022-03-29 US disclosed
US-11174250-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding Propellon Therapeutics Inc. (CA) 2021-11-16 US disclosed
EP-3558955-B1 BENZISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER AMGEN INC (US) 2021-08-11 EP disclosed
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2021-01-14 US disclosed
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2020-03-05 US disclosed
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2020-02-20 US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 US disclosed
US-9957275-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2018-05-01 US disclosed
US-9957275-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2018-05-01 US disclosed
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-07-06 US disclosed
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-07-06 US disclosed
US-20160130275-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2016-05-12 US disclosed
US-9238039-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2016-01-19 US disclosed
US-20140154240-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2014-06-05 US 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 (13 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-20140154240-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS CA1 4495/4885CA2 3201/4885GABRA1 3889/4885
US-11319299-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding WDR5, WDR82, WDR1 CA1 4187/4885CA2 3299/4885GABRA1 3011/4885
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS CA1 4495/4885CA2 3201/4885GABRA1 3889/4885
US-11174250-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding WDR5, WDR82, WDR1 CA1 4080/4885CA2 3129/4885GABRA1 3056/4885
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CA1 3042/4885CA2 2520/4885GABRA1 4329/4885
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS CA1 4495/4885CA2 3201/4885GABRA1 3889/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS CA1 2688/4885CA2 2427/4885GABRA1 4384/4885
US-20160130275-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS CA1 4495/4885CA2 3201/4885GABRA1 3889/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CA1 2659/4885CA2 2465/4885GABRA1 4420/4885
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CA1 2659/4885CA2 2465/4885GABRA1 4420/4885
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CA1 2659/4885CA2 2465/4885GABRA1 4420/4885
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CA1 2907/4885CA2 2579/4885GABRA1 4308/4885
US-20230219926-A1 SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING WDR5, WDR82, WDR1 CA1 4187/4885CA2 3299/4885GABRA1 3011/4885

“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.