SCHEMBL898882

SCHEMBL898882

Nc1ccc(C(F)(F)F)nc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 5/20 0.36
HSD17B10 Q99714 2/20 0.36
CA2 P00918 1/20 0.35
CHKA P35790 1/20 0.35
TKT P29401 1/20 0.35
P2RX7 Q99572 1/20 0.35
KMT2A Q03164 1/20 0.35
MAT2A P31153 1/20 0.35
PTGS2 P35354 1/20 0.34
DHFR P00374 1/20 0.34
KCNH2 Q12809 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL29745069 1.00 HSP90AA1 (0.38) HSP90AA1HSP90AB1TRPV4ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL14127591 0.98 HSP90AA1 (0.36) HSP90AA1HSP90AB1TRPV4ALDH1A1KDM4E
SCHEMBL21649925 0.81 KDM4E (0.39) HSP90AA1HSP90AB1TRPV4ALDH1A1KDM4E
SCHEMBL25371113 0.79 HSP90AA1 (0.36) HSP90AA1HSP90AB1TRPV4ALDH1A1KDM4E
SCHEMBL30303053 0.79 HSP90AA1 (0.36) HSP90AA1HSP90AB1TRPV4ALDH1A1KDM4E
SCHEMBL830696 0.79 HSP90AA1 (0.36) HSP90AA1HSP90AB1TRPV4ALDH1A1KDM4E
SCHEMBL2253996 0.77 KDM4E (0.40) HSP90AA1HSP90AB1TRPV4ALDH1A1KDM4E
SCHEMBL14955141 0.77 MAT2A (0.42) HSP90AA1HSP90AB1TRPV4ALDH1A1KDM4E
SCHEMBL17986994 0.77 HSP90AA1 (0.44) HSP90AA1HSP90AB1TRPV4KDM4EHSD17B10
SCHEMBL29505062 0.77 MAT2A (0.42) HSP90AA1HSP90AB1TRPV4ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 EP disclosed
WO-2024058617-A1 ANTIVIRAL USE OF HETEROARYL DERIVATIVE COMPOUND 일동제약(주) 2024-03-21 WO disclosed
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 WO disclosed
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 WO disclosed
US-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them UNIVERSITY OF WASHINGTON (US) 2023-02-21 US disclosed
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed
EP-3257853-B1 CONDENSED HETEROCYCLIC COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT NISSAN CHEMICAL CORP (JP) 2021-11-10 EP disclosed
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON 2021-05-27 US disclosed
US-7767687-B2 Pyrido pyrimidinones, dihydro pyrimido pyrimidinones and pteridinones useful as RAF kinase inhibitors BIOGEN IDEC MA INC. (US) 2010-08-03 US disclosed
US-7767687-B2 Pyrido pyrimidinones, dihydro pyrimido pyrimidinones and pteridinones useful as RAF kinase inhibitors BIOGEN IDEC MA INC. (US) 2010-08-03 US disclosed
US-7582761-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-09-01 US disclosed
US-20090143575-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS BALAN CHENERA 2009-06-04 US disclosed
EP-1957078-A2 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE Bayer Healthcare, LLC (US) 2008-08-20 EP disclosed
WO-2007064932-A2 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2007-06-07 WO disclosed
EP-1551811-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Amgen Inc. (US) 2005-07-13 EP disclosed
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2004-08-05 US disclosed
WO-2004035549-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2004-04-29 WO disclosed
US-4082845-A SEROTONINMIMETICS USEFUL AS ANORECTIC, ANTIDEPRESSANT, ANALGESIC AND HYPNOTIC AGENTS MERCK & CO., INC. (US) 1978-04-04 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 (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-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them AARS1, EMG1, GARS1 HSP90AA1 887/4885HSP90AB1 958/4885TRPV4 4867/4885
US-20090143575-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV3, TRPV2 HSP90AA1 606/4885HSP90AB1 424/4885TRPV4 4/4885
US-20040152690-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 HSP90AA1 819/4885HSP90AB1 599/4885TRPV4 4/4885
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 HSP90AA1 2150/4885HSP90AB1 1373/4885TRPV4 2923/4885
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM AARS1, GARS1, MTR HSP90AA1 1230/4885HSP90AB1 1339/4885TRPV4 4858/4885

“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.