SCHEMBL370799

SCHEMBL370799

c1csc(-c2cn[nH]c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.48
CYP2A6 P11509 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.43
SMPD3 Q9NY59 1/20 0.42
ILK Q13418 1/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
ROCK2 O75116 5/20 0.40
ADRB2 P07550 1/20 0.40
ROCK1 Q13464 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MAPK1 P28482 2/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
TPX2 Q9ULW0 1/20 0.37
KCNH2 Q12809 1/20 0.36
GRM4 Q14833 1/20 0.36
CHUK O15111 1/20 0.35

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
Tert-Butyl Formate SCHEMBL27791329 0.82 MAP3K14 (0.39) PDPK1CYP2A6LOXL2SMPD3ILK
SCHEMBL722198 0.71 PDPK1 (0.77) PDPK1CYP2A6LOXL2SMPD3ADRB2
SCHEMBL102331 0.69 PDPK1 (0.59) PDPK1CYP2A6LOXL2SMPD3ADRB2
SCHEMBL3740850 0.69 AKT2 (0.70) ILKAKT1AKT2ROCK2MAPK1
SCHEMBL28321550 0.69 PDPK1 (0.46) PDPK1CYP2A6LOXL2SMPD3ADRB2
SCHEMBL3327398 0.68 CYP2A6 (0.62) PDPK1CYP2A6LOXL2SMPD3ADRB2
SCHEMBL13575353 0.68 PDPK1 (0.48) PDPK1CYP2A6LOXL2SMPD3ADRB2
SCHEMBL5077798 0.68 PDPK1 (0.53) PDPK1CYP2A6LOXL2SMPD3ADRB2
SCHEMBL31556353 0.67 PDPK1 (0.56) PDPK1CYP2A6LOXL2SMPD3ADRB2
SCHEMBL30632310 0.67 PDPK1 (0.56) PDPK1CYP2A6LOXL2SMPD3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250049776-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF, IN PARTICULAR FOR A SYSTEMIC TREATMENT OF DISEASES AND CONDITIONS INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE (INSERM) (FR) 2025-02-13 US disclosed
EP-4308115-A1 HETEROAROYL AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2024-01-24 EP disclosed
WO-2022197577-A1 HETEROAROYL AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2022-09-22 WO disclosed
US-20170073339-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-20170073339-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-20170073339-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-9533981-B2 Pyridine derivatives ASANA BIOSCIENCES, LLC (US) 2017-01-03 US disclosed
US-9533981-B2 Pyridine derivatives ASANA BIOSCIENCES, LLC (US) 2017-01-03 US disclosed
US-20160340310-A9 Pyridine Derivatives ENDO PHARMACEUTICALS, INC. 2016-11-24 US disclosed
US-20160340310-A9 Pyridine Derivatives ENDO PHARMACEUTICALS, INC. 2016-11-24 US disclosed
US-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BOLEA CHRISTELLE (CH) 2013-08-15 US disclosed
EP-2595986-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2013-05-29 EP disclosed
WO-2013049559-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-04-04 WO disclosed
WO-2013049559-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-04-04 WO disclosed
US-20130085148-A1 Pyridine Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 US disclosed
US-20130085148-A1 Pyridine Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 US disclosed
US-20130085148-A1 Pyridine Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 US disclosed
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2012-12-27 US disclosed
WO-2012009009-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 WO disclosed
US-20110257179-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-10-20 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 (7 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-20130085148-A1 Pyridine Derivatives CYP2A7, CYP21A2, CYP3A7 PDPK1 1403/4885CYP2A6 55/4885LOXL2 3364/4885
US-20170073339-A1 PYRIDINE DERIVATIVES CYP21A2, CYP26A1, CYP11B1 PDPK1 1156/4885CYP2A6 35/4885LOXL2 3684/4885
US-20250049776-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF, IN PARTICULAR FOR A SYSTEMIC TREATMENT OF DISEASES AND CONDITIONS BECN1, TFEB, SQSTM1 PDPK1 1763/4885CYP2A6 1042/4885LOXL2 2910/4885
US-20110257179-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM2, GRM1 PDPK1 950/4885CYP2A6 2657/4885LOXL2 4514/4885
US-20160340310-A9 Pyridine Derivatives CYP2A7, CYP21A2, CYP3A7 PDPK1 1403/4885CYP2A6 55/4885LOXL2 3364/4885
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MAPK15, CDK15, MAPKAPK5 PDPK1 193/4885CYP2A6 2191/4885LOXL2 3409/4885
US-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM4, GRM1 PDPK1 864/4885CYP2A6 2201/4885LOXL2 3579/4885

“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.