SCHEMBL1968503

SCHEMBL1968503

O=C(Nc1cc(C(F)(F)F)ccn1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
CASP1 P29466 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HSD17B10 Q99714 1/20 0.60
P2RX1 P51575 1/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
SORT1 Q99523 1/20 0.56
KCNK3 O14649 1/20 0.56
RIOK2 Q9BVS4 1/20 0.55
LMNA P02545 1/20 0.55
GRM5 P41594 1/20 0.55
AURKA O14965 1/20 0.55
MAPK14 Q16539 1/20 0.54
BTK Q06187 2/20 0.53
PTGS1 P23219 1/20 0.52
ATM Q13315 1/20 0.52

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
Formic Acid SCHEMBL30595912 0.95 ALOX15 (0.55) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL28994232 0.90 BTK (0.62) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL27826350 0.89 ALDH1A1 (0.52) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL17392022 0.87 DEGS1 (0.62) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL3476295 0.86 TSHR (0.67) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL15904287 0.86 TSHR (0.62) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL30362452 0.86 TSHR (0.62) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL16594252 0.86 GRM5 (0.53) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL30050714 0.86 GRM5 (0.53) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL16604279 0.86 SORT1 (0.60) ALOX15TSHRCASP1NPSR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117105922-A Aminothiazole compounds as C-KIT inhibitors 阿瑞雅德制药公司 2023-11-24 CN claimed
EP-4006035-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER NEUPHARMA INC (US) 2023-11-22 EP claimed
CN-110291086-B Aminothiazole compounds as C-KIT inhibitors 阿瑞雅德制药公司 2023-08-11 CN claimed
EP-3601264-A1 BRUTON'S TYROSINE KINASE INHIBITORS Liao, Xibin (US) 2020-02-05 EP claimed
EP-3555090-A1 AMINOTHIAZOLE COMPOUNDS AS C-KIT INHIBITORS ARIAD Pharmaceuticals, Inc. (US) 2019-10-23 EP claimed
WO-2018175512-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUZHOU BAIJIBUGONG PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2018-09-27 WO claimed
WO-2018112136-A1 AMINOTHIAZOLE COMPOUNDS AS C-KIT INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2018-06-21 WO claimed
EP-3240542-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP claimed
WO-2016109215-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO claimed
EP-2734523-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES BTK-INHIBITORS Merck Sharp & Dohme B.V. (NL) 2014-05-28 EP claimed
EP-2734522-A1 4 - IMIDAZOPYRIDAZIN- 1 -YL-BENZAMIDES AND 4 - IMIDAZOTRIAZIN- 1 - YL - BENZAMIDES AS BTK- INHIBITORS Merck Sharp & Dohme B.V. (NL) 2014-05-28 EP claimed
EP-2552905-A1 B-RAF KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-02-06 EP claimed
WO-2013010869-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES BTK-INHIBITORS MSD OSS B.V. (NL) 2013-01-24 WO claimed
WO-2013010868-A1 4 - IMIDAZOPYRIDAZIN- 1 -YL-BENZAMIDES AND 4 - IMIDAZOTRIAZIN- 1 - YL - BENZAMIDES AS BTK- INHIBITORS MSD OSS B.V. (NL) 2013-01-24 WO claimed
US-12291534-B2 Aminonorbornane derivative and manufacture method therefor and use thereof TRANSTHERA SCIENCES (NANJING), INC. (CN) 2025-05-06 US disclosed
EP-3240542-B1 BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-11-06 EP disclosed
US-11974999-B2 Bruton's tyrosine kinase inhibitors Liao, Xibin (US) 2024-05-07 US disclosed
WO-2013010869-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES BTK-INHIBITORS MSD OSS B.V. (NL) 2013-01-24 WO disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 WO disclosed
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP 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 (2 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-12291534-B2 Aminonorbornane derivative and manufacture method therefor and use thereof BTK, LCK, SYK ALOX15 500/4885TSHR 3351/4885CASP1 538/4885
US-11974999-B2 Bruton's tyrosine kinase inhibitors BTK, ABL1, SYK ALOX15 4237/4885TSHR 1864/4885CASP1 2540/4885

“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.