SCHEMBL1653986

SCHEMBL1653986

c1cc(-c2nccs2)ccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.68
LOXL2 Q9Y4K0 1/20 0.59
CYP2A6 P11509 1/20 0.59
ADRB2 P07550 1/20 0.53
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.44
SMPD3 Q9NY59 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HSP90AA1 P07900 1/20 0.42
AR P10275 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
CYP19A1 P11511 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
METAP1 P53582 1/20 0.42

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
SCHEMBL19219079 0.96 PDPK1 (0.63) PDPK1LOXL2CYP2A6ADRB2MAPT
SCHEMBL722198 0.87 PDPK1 (0.77) PDPK1LOXL2CYP2A6ADRB2SMPD3
Acetic Acid SCHEMBL5456096 0.87 PDPK1 (0.58) PDPK1LOXL2CYP2A6ADRB2MAPT
SCHEMBL30060874 0.82 PDPK1 (0.58) PDPK1LOXL2CYP2A6ADRB2MAPT
Acetic Acid Methyl Ester SCHEMBL5461039 0.82 PDPK1 (0.49) PDPK1LOXL2CYP2A6ADRB2SMPD3
2-Phenylthiazole SCHEMBL70646 0.81 PDPK1 (1.00) PDPK1LOXL2CYP2A6ADRB2LMNA
Water SCHEMBL27772406 0.80 PDPK1 (0.61) PDPK1LOXL2CYP2A6ADRB2SMPD3
SCHEMBL31351160 0.80 PDPK1 (0.45) PDPK1LOXL2CYP2A6ADRB2MAPT
2-Phenylthiazole SCHEMBL4939218 0.79 PDPK1 (0.95) PDPK1LOXL2CYP2A6ADRB2LMNA
SCHEMBL17704291 0.79 PDPK1 (0.65) PDPK1LOXL2CYP2A6ADRB2SMPD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102863435-A 2-[[4-fluoro-3-(trifluoromethyl) phenyl] amino]-4-pyridyl-5-thiazole formaldehyde and preparation method of reduction product thereof YANCHENG INST TECHNOLOGY 2013-01-09 CN claimed
WO-2011049274-A1 IMIDAZOLE DERIVATIVES AND COMPOSITIONS FOR TREATING MELANOMA KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-04-28 WO claimed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP claimed
WO-1995029929-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1995-11-09 WO claimed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP claimed
JP-59016889-A None JP disclosed
CN-108383858-B Derivatives of imidazothiadiazoles and imidazopyrazines for the treatment of platelet aggregation 百时美施贵宝公司 2024-09-20 CN disclosed
US-20220332712-A1 HETEROARYL-PYRIDINIUM COMPOUND AND REDOX FLOW BATTERY COMPRISING THE SAME PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2022-10-20 US disclosed
CN-111205456-B Macrocyclic compound, preparation method and application thereof 中国科学院上海高等研究院 2022-07-05 CN disclosed
CN-108373476-B Kinase inhibitor and preparation and application thereof 成都地奥制药集团有限公司 2021-06-01 CN disclosed
EP-3215142-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2021-03-24 EP disclosed
CN-110981891-B Methanol fluorescent probe based on viologen derivative, preparation method and application 郑州大学 2020-10-30 CN disclosed
EP-0097323-A3 2-(4-PYRIDYL)-THIAZOLE DERIVATIVES SCHERING CORPORATION (US) 1985-08-07 EP disclosed
EP-0097323-A3 2-(4-PYRIDYL)-THIAZOLE DERIVATIVES SCHERING CORPORATION (US) 1985-08-07 EP disclosed
US-4528291-A 2-(4'-Pyridinyl)-thiazole compounds and their use in increasing cardiac contractility SCHERING CORPORATION (US) 1985-07-09 US disclosed
US-4528291-A 2-(4'-Pyridinyl)-thiazole compounds and their use in increasing cardiac contractility SCHERING CORPORATION (US) 1985-07-09 US disclosed
JP-S5916889-A 2-(4-PYRIDYL)-THIAZOLE DERIVATIVE SCHERING PLOUGH CORP 1984-01-28 JP disclosed
EP-0097323-A2 2-(4-Pyridyl)-thiazole derivatives SCHERING CORPORATION (US) 1984-01-04 EP disclosed
EP-0097323-A2 2-(4-Pyridyl)-thiazole derivatives SCHERING CORPORATION (US) 1984-01-04 EP disclosed
EP-0097323-A2 2-(4-Pyridyl)-thiazole derivatives SCHERING CORPORATION (US) 1984-01-04 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 (1 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-20220332712-A1 HETEROARYL-PYRIDINIUM COMPOUND AND REDOX FLOW BATTERY COMPRISING THE SAME NOX4, DUOX1, PNPO PDPK1 926/4885LOXL2 488/4885CYP2A6 1420/4885

“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.