SCHEMBL2578166

SCHEMBL2578166

NC(=O)Cc1cccc(Br)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.52
TAAR1 Q96RJ0 2/20 0.52
PARP1 P09874 1/20 0.52
PARP15 Q460N3 2/20 0.51
PARP10 Q53GL7 2/20 0.51
PARP14 Q460N5 1/20 0.51
EGFR P00533 5/20 0.50
ERBB2 P04626 5/20 0.50
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
Trifluoroacetic Acid SCHEMBL5657671 0.88 EGFR (0.46) MAPK8TAAR1PARP1PARP15PARP10
SCHEMBL10339219 0.85 CA2 (0.54) CA2
SCHEMBL1448505 0.83 EGFR (0.53) MAPK8TAAR1PARP15PARP10PARP14
SCHEMBL78652 0.82 AKR1B1 (0.58) TAAR1EGFRERBB2
SCHEMBL1357383 0.82 EGFR (0.51) MAPK8TAAR1PARP15PARP10PARP14
SCHEMBL7556572 0.81 PARP1 (0.42) MAPK8TAAR1PARP1PARP15PARP10
SCHEMBL2754670 0.81 TAAR1 (0.58) TAAR1PARP1PARP15PARP10PARP14
SCHEMBL16155630 0.81 TAAR1 (0.53) MAPK8TAAR1PARP1PARP15PARP10
SCHEMBL609893 0.80 MAOB (0.51) TAAR1EGFRERBB2IDO1AGXT
Hydrochloric Acid SCHEMBL1374336 0.80 AKR1B1 (0.56) TAAR1EGFRERBB2IDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092053-A1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2026-04-02 US disclosed
EP-4681774-A2 KHK INHIBITORS Gilead Sciences, Inc. (US) 2026-01-21 EP disclosed
EP-4313967-B1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2025-11-12 EP disclosed
US-12410160-B2 KHK inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
US-12195490-B2 STRAD-binding agents and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-01-14 US disclosed
CN-113462278-B Varnish composition, method for producing polyimide resin, and additive 东京应化工业株式会社 2024-06-07 CN disclosed
CN-117756834-A Synthesis method of 2- (aminocarbonylmethyl) phenylboronic acid pinacol ester 大连双硼医药化工有限公司 2024-03-26 CN disclosed
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 EP disclosed
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 CN disclosed
EP-3884939-B1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS INC (US) 2023-10-25 EP disclosed
WO-2003072561-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-09-04 WO disclosed
EP-1173420-A2 HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2002-01-23 EP disclosed
US-6265409-B1 ANTIINFLAMMATORY AGENTS ASTRAZENECA AB (SE) 2001-07-24 US disclosed
WO-2000053581-A2 HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2000-09-14 WO disclosed
EP-1019375-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-07-19 EP disclosed
WO-1998042669-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO disclosed
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed
US-4144391-A REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE ELI LILLY AND COMPANY (US) 1979-03-13 US disclosed
US-4012388-A Herbicidal 4-pyrimidinones and pyrimidinethiones ELI LILLY AND COMPANY (US) 1977-03-15 US disclosed
US-3943152-A Method for preparing azines PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-03-09 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 (3 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-20260092053-A1 KHK INHIBITORS KHK, SLC5A2, HK1 MAPK8 916/4885TAAR1 2496/4885PARP1 4713/4885
US-12410160-B2 KHK inhibitors KHK, KHDRBS1, NADK MAPK8 1091/4885TAAR1 4316/4885PARP1 1574/4885
US-12195490-B2 STRAD-binding agents and uses thereof STRAP, STRA6, PLAUR MAPK8 2258/4885TAAR1 4465/4885PARP1 3002/4885

“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.