SCHEMBL13025

SCHEMBL13025

Cc1cccc(-c2nccs2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.60
CYP2A6 P11509 1/20 0.53
SRC P12931 1/20 0.50
CDK2 P24941 1/20 0.50
ZAP70 P43403 1/20 0.50
SYK P43405 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
CTSA P10619 1/20 0.47
ADRB2 P07550 1/20 0.45
SMPD3 Q9NY59 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
KAT6A Q92794 1/20 0.42
NPY5R Q15761 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DCTPP1 Q9H773 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
SCHEMBL23601602 0.91 PDPK1 (0.59) PDPK1CYP2A6SRCCDK2ZAP70
SCHEMBL15805858 0.86 PDPK1 (0.72) PDPK1CYP2A6LOXL2ADRB2SMPD3
Tert-Butyl Formate SCHEMBL27844824 0.84 PDPK1 (0.44) PDPK1CYP2A6SRCCDK2ZAP70
SCHEMBL16159287 0.82 PDPK1 (0.67) PDPK1CYP2A6LOXL2ADRB2SMPD3
SCHEMBL19198689 0.81 HSD17B1 (0.47) PDPK1CYP2A6SRCCDK2ZAP70
SCHEMBL10013472 0.80 SMPD3 (0.53) PDPK1CYP2A6SRCCDK2ZAP70
SCHEMBL4425765 0.79 PDPK1 (0.74) PDPK1CYP2A6LOXL2CTSAADRB2
SCHEMBL20550702 0.78 PDPK1 (0.60) PDPK1CYP2A6LOXL2ADRB2SMPD3
SCHEMBL468088 0.78 PDPK1 (0.60) PDPK1CYP2A6ALDH1A1MEN1KMT2A
SCHEMBL7609803 0.78 PDPK1 (0.60) PDPK1CYP2A6ALDH1A1LOXL2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101730696-B 3-aza-bicyclo [3.3.0] octane compounds ACTELION PHARMACEUTICALS LTD 2013-01-09 CN claimed
CN-101641342-B Thiazolidine derivatives as orexin receptor antagonist ACTELION PHARMACEUTICAL LTD CH 2012-10-03 CN claimed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US claimed
EP-2217239-A2 MODULATION OF PROTEIN TRAFFICKING Foldrx Pharmaceuticals, Inc. (US) 2010-08-18 EP claimed
CN-101641342-A Thiazolidine derivatives ACTELION PHARMACEUTICAL LTD CH 2010-02-03 CN claimed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 WO claimed
WO-2023146896-A1 BICYCLIC-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2023-08-03 WO disclosed
WO-2023022497-A1 SOS1 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-02-23 WO disclosed
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
EP-3885343-A1 INDOLE COMPOUNDS AS EZH2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-29 EP disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
WO-2007026104-A1 PYRROLOPYRIDINE DERIVATIVES AND USE OF SAME AS PPAR RECEPTOR MODULATORS LABORATOIRES FOURNIER S.A. (FR) 2007-03-08 WO disclosed
US-6004903-A 2-Anylocyclohexanediones having improved herbicidal properties BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed
EP-0898570-A1 HERBICIDAL HETEROCYCLICALLY SUBSTITUTED BENZOYLISOTHIAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-03-03 EP disclosed
WO-1997038996-A1 HERBICIDAL HETEROCYCLICALLY SUBSTITUTED BENZOYLISOTHIAZOLES BASF AKTIENGESELLSCHAFT (DE) 1997-10-23 WO disclosed
EP-0315155-A2 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1989-05-10 EP disclosed
EP-0285234-A2 Silver halide photographic light-sensitive material KONICA CORPORATION (JP) 1988-10-05 EP disclosed
EP-0117105-B1 METHOD FOR THE PROCESSING OF SILVER HALIDE PHOTOGRAPHIC LIGHT-SENSITIVE MATERIALS KONICA CORPORATION (JP) 1987-09-16 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 (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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 PDPK1 239/4885CYP2A6 1651/4885SRC 221/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B PDPK1 1600/4885CYP2A6 4429/4885SRC 1332/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 PDPK1 250/4885CYP2A6 1757/4885SRC 236/4885
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 PDPK1 4035/4885CYP2A6 2040/4885SRC 2685/4885

“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.