Sugi Predict

Sugi Predict / Compounds / SCHEMBL3464281

SCHEMBL3464281

SCHEMBL3464281

Cc1cc(-c2ccncc2)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GCGR P47871 1/20 0.42
▸ CDC7 O00311 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ AXL P30530 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1773863 0.81 RAB9A (0.61) SMN1; SMN2MAPTLMNAPOLBRAB9A
SCHEMBL14069232 0.81 SMN1; SMN2 (0.66) SMN1; SMN2MAPTLMNAPOLBRAB9A
SCHEMBL3228033 0.78 MEN1 (0.61) SMN1; SMN2MAPTLMNARAB9AAXL
SCHEMBL4893890 0.78 RAB9A (0.57) SMN1; SMN2MAPTLMNAPOLBRAB9A
SCHEMBL27883363 0.78 SMN1; SMN2 (0.56) SMN1; SMN2MAPTRAB9AAXLKEAP1
SCHEMBL13514605 0.78 SMN1; SMN2 (0.47) SMN1; SMN2MAPTPOLBRAB9AAXL
SCHEMBL6606440 0.78 SMN1; SMN2 (0.43) SMN1; SMN2MAPTPOLBRAB9AAXL
SCHEMBL3070625 0.78 TRPM8 (0.62) SMN1; SMN2GCGRMAPTPOLBRAB9A
SCHEMBL21346072 0.78 TNIK (0.54) SMN1; SMN2MAPK1
SCHEMBL28282909 0.78 RAB9A (0.57) SMN1; SMN2MAPTLMNAPOLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049419-A1 PYRAZOLYL COMPOUNDS AS EMOPAMIL BINDING PROTEIN INHIBITORS GENZYME CORPORATION (US) 2025-03-06 — — WO disclosed
CN-108203408-B Pyrazole compound containing N-aryl sulfonate as well as synthesis and application thereof 兰州大学 2020-07-21 — — CN disclosed
CN-105814037-B N1- (the fluoro- 2- hydroxy-2-methyl propiono of 3,3,3- tri-)-piperidine derivative of inhibitor as pyruvic dehydrogenase kinase 默克专利股份公司 2018-11-30 — — CN disclosed
EP-3083591-B1 N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE MERCK PATENT GMBH (DE) 2018-01-03 — — EP disclosed
US-9751861-B2 N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase MERCK PATENT GMBH (DE) 2017-09-05 — — US disclosed
US-9751861-B2 N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase MERCK PATENT GMBH (DE) 2017-09-05 — — US disclosed
US-9751861-B2 N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase MERCK PATENT GMBH (DE) 2017-09-05 — — US disclosed
US-9499519-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-22 — — US disclosed
US-20160311798-A1 N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE MERCK PATENT GMBH (DE) 2016-10-27 — — US disclosed
US-20160311798-A1 N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE MERCK PATENT GMBH (DE) 2016-10-27 — — US disclosed
CN-100542534-C Substituted piperazines CHEMOCENTRYX INC (US) 2009-09-23 — — CN disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 — — US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 — — US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 — — US disclosed
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 — — EP disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 — — EP disclosed
CN-1802373-A Pyrazoloisoquinoline derivatives as kinase inhibitors AVENTIS PHARMA INC (US) 2006-07-12 — — CN disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 — — US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 — — US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 — — WO 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-20160311798-A1 N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE PDK1, PDK3, PDK2 PDPK1 20/4885SMN1; SMN2 1712/4885GCGR 3178/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 PDPK1 2092/4885SMN1; SMN2 1026/4885GCGR 519/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 PDPK1 2092/4885SMN1; SMN2 1026/4885GCGR 519/4885

“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.