SCHEMBL20693003

SCHEMBL20693003

Cc1cnccc1C(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
SIRT3 Q9NTG7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RPS6KA3 P51812 1/20 0.35
GAA P10253 1/20 0.34
CYP19A1 P11511 1/20 0.33
CYP2A6 P11509 4/20 0.32
CYP2E1 P05181 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2B6 P20813 3/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C8 P10632 1/20 0.32
LATS1 O95835 2/20 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
SCHEMBL14907178 0.82 SIRT3 (0.39) TRPA1SIRT3TDP1RPS6KA3GAA
SCHEMBL2737302 0.79 RPS6KA3 (0.43) TRPA1SIRT3TDP1RPS6KA3GAA
SCHEMBL2892375 0.76 GAA (0.41) TRPA1SIRT3TDP1RPS6KA3GAA
SCHEMBL25996380 0.76 RPS6KA3 (0.45) RPS6KA3MAPT
SCHEMBL13029049 0.76 SIRT3 (0.38) TRPA1SIRT3TDP1RPS6KA3GAA
SCHEMBL26030475 0.76 RPS6KA3 (0.45) RPS6KA3MAPT
SCHEMBL24037998 0.74 LOXL2 (0.43) RPS6KA3LATS1LATS2MAOAMAOB
SCHEMBL19133216 0.74 CYP1A2 (0.37) TRPA1SIRT3TDP1RPS6KA3GAA
SCHEMBL21745752 0.73 GAA (0.46) RPS6KA3GAACYP19A1CYP3A4CYP2D6
SCHEMBL3782423 0.73 AXL (0.35) RPS6KA3CYP3A4MAPTMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780861-B2 Phosphine reagents for azine fluoroalkylation COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2023-10-10 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-20230257362-A1 TRIAZOLONE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-08-17 US disclosed
WO-2022140499-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2022-06-30 WO disclosed
US-20220153752-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES TORQUR AG (CH) 2022-05-19 US disclosed
US-11186591-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines UNIVERSITÄT BASEL (CH) 2021-11-30 US disclosed
US-20200277304-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES TORQUR AG (CH) 2020-09-03 US disclosed
US-10640516-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines PIQUR THERAPEUTICS AG (CH) 2020-05-05 US disclosed
US-20190031682-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES TORQUR AG (CH) 2019-01-31 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 (8 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-20220153752-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIK3CA, MTOR, PIKFYVE TRPA1 4677/4885SIRT3 4228/4885TDP1 1087/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 TRPA1 1040/4885SIRT3 1143/4885TDP1 3426/4885
US-10640516-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines PIK3CA, MTOR, PIKFYVE TRPA1 4677/4885SIRT3 4228/4885TDP1 1087/4885
US-20230257362-A1 TRIAZOLONE COMPOUND WNK3, SLC10A1, WNK2 TRPA1 246/4885SIRT3 875/4885TDP1 2995/4885
US-20200277304-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIK3CA, MTOR, PIKFYVE TRPA1 4677/4885SIRT3 4228/4885TDP1 1087/4885
US-20190031682-A1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIK3CA, MTOR, PIKFYVE TRPA1 4677/4885SIRT3 4228/4885TDP1 1087/4885
US-11780861-B2 Phosphine reagents for azine fluoroalkylation PTPN3, PHOSPHO1, SKIC3 TRPA1 2518/4885SIRT3 3958/4885TDP1 3819/4885
US-11186591-B2 Difluoromethyl-aminopyridines and difluoromethyl-aminopyrimidines PIK3CA, MTOR, PIKFYVE TRPA1 4677/4885SIRT3 4228/4885TDP1 1087/4885

“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.