SCHEMBL63377

SCHEMBL63377

c1c[nH]c(-c2nccs2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.43
F2RL1 P55085 1/20 0.42
NISCH Q9Y2I1 2/20 0.42
PDPK1 O15530 1/20 0.42
MTOR P42345 1/20 0.42
ADK P55263 1/20 0.42
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
CYP2A6 P11509 1/20 0.37
HSP90AA1 P07900 1/20 0.36
TSHR P16473 1/20 0.36
NOS1 P29475 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8603493 0.80 F2RL1 (0.48) METAP1F2RL1NISCHPDPK1MTOR
SCHEMBL5623929 0.74 ADORA2A (0.33) METAP1F2RL1NISCHPDPK1MTOR
SCHEMBL102331 0.72 PDPK1 (0.59) METAP1PDPK1ADORA2AADORA1RAB9A
SCHEMBL81650 0.72 NISCH (0.59) NISCHMTORADKALDH1A1MEN1
SCHEMBL969098 0.71 NISCH (0.39) NISCHMTORADKADORA2AADORA1
Hydrochloric Acid SCHEMBL1536214 0.70 NISCH (0.56) NISCHMTORADKALDH1A1MEN1
SCHEMBL31556353 0.70 PDPK1 (0.56) METAP1PDPK1ADORA2AADORA1RAB9A
SCHEMBL30534095 0.70 PDPK1 (0.56) METAP1PDPK1ADORA2AADORA1RAB9A
SCHEMBL30632310 0.70 PDPK1 (0.56) METAP1PDPK1ADORA2AADORA1RAB9A
SCHEMBL28425230 0.70 NISCH (0.56) NISCHMTORADKALDH1A1MEN1

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 1263 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083903-A1 ARYL ETHER COMPOUNDS AS TEAD MODULATORS MERCK SHARP & DOHME LLC (US) 2024-03-14 US claimed
EP-4333899-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2024-03-13 EP claimed
EP-4294382-A1 ARYL ETHER COMPOUNDS AS TEAD MODULATORS Merck Sharp & Dohme LLC (US) 2023-12-27 EP claimed
US-11731934-B2 HDAC inhibitor compounds and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-08-22 US claimed
WO-2022177869-A1 ARYL ETHER COMPOUNDS AS TEAD MODULATORS MERCK SHARP & DOHME LLC (US) 2022-08-25 WO claimed
EP-3802503-A1 UREA DERIVATIVE MODULATORS OF TRYPTOPHAN CATABOLISM E-Therapeutics plc (GB) 2021-04-14 EP claimed
US-9416128-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-08-16 US claimed
US-20150141378-A1 NITROXYL PROGENITOR COMPOUNDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-21 US claimed
US-9012639-B2 Copper complexes for optoelectronic applications CYNORA GMBH (DE) 2015-04-21 US claimed
CN-101735217-B Application of imidazole [4,5-f][1,10] phenanthroline and derivative thereof to preparation of antineoplastic drug UNIV GUANGDONG PHARM 2012-09-26 CN claimed
US-20010027247-A1 Pipecolic acid derivatives of proline threonine amides useful for the treatment of rheumatoid arthritis G.D. SEARLE & CO., (US) 2001-10-04 US claimed
EP-1040100-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS Pfizer Products Inc. (US) 2000-10-04 EP claimed
WO-1999023076-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS PFIZER PRODUCTS INC. (US) 1999-05-14 WO claimed
EP-0873304-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-10-28 EP claimed
WO-1997019053-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-05-29 WO claimed
WO-1996040753-A1 PIPECOLIC ACID DERIVATIVES OF PROLINE THREONINE AMIDES USEFUL FOR THE TREATMENT OF RHEUMATOID ARTHRITIS G.D. SEARLE & CO. (US) 1996-12-19 WO claimed
EP-0714397-A4 1996-06-26 EP claimed
EP-0714397-A1 PHENETHYLAMINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-06-05 EP claimed
EP-0450566-B1 Substituted azoles, method for their preparation, these containing compositions and their use HOECHST AG (DE) 1995-07-05 EP claimed
WO-1995005386-A1 PHENETHYLAMINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-02-23 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20010027247-A1 Pipecolic acid derivatives of proline threonine amides useful for the treatment of rheumatoid arthritis ARGLU1, PRR12, PTMS METAP1 681/4885F2RL1 4343/4885NISCH 638/4885
US-11731934-B2 HDAC inhibitor compounds and methods of treatment HDAC4, HDAC1, HDAC5 METAP1 3464/4885F2RL1 3200/4885NISCH 3218/4885
US-20150141378-A1 NITROXYL PROGENITOR COMPOUNDS AND METHODS OF USE HMOX2, NNMT, HMOX1 METAP1 2269/4885F2RL1 1988/4885NISCH 422/4885
US-20240083903-A1 ARYL ETHER COMPOUNDS AS TEAD MODULATORS TEAD2, TEAD3, TEAD4 METAP1 3667/4885F2RL1 1999/4885NISCH 1356/4885

“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.