SCHEMBL458013

SCHEMBL458013

Cc1cn(NC(=O)c2ccccc2)nn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
POLB P06746 3/20 0.40
PKM P14618 1/20 0.40
HDAC3 O15379 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
IDO1 P14902 1/20 0.40
ALOX15 P16050 1/20 0.40
HDAC1 Q13547 1/20 0.40
CA9 Q16790 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL3668615 0.73 SMN1; SMN2 (0.52) CYP3A4CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL17788999 0.71 F2 (0.47) CYP3A4CYP2C9CYP2C19SMN1; SMN2GAA
SCHEMBL9713098 0.69 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19HTTGAA
SCHEMBL5004692 0.68 CYP2C9 (0.60) CYP3A4CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL6663174 0.67 ALDH1A1 (0.53) CYP3A4CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL27519269 0.67 HSD11B1 (0.54) CYP3A4CYP2C9CYP2C19HTTNPC1
SCHEMBL954862 0.66 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19HTTGAA
SCHEMBL12841358 0.65 TSHR (0.70) CYP3A4CYP2C9CYP2C19SMN1; SMN2GAA
SCHEMBL17714580 0.65 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19HTTGAA
SCHEMBL27943510 0.65 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4301816-A1 COATING COMPOSITIONS COMPRISING A POLYSULFIDE CORROSION INHIBITOR PRC-Desoto International, Inc. (US) 2024-01-10 EP claimed
CN-117377727-A Coating composition comprising polysulfide corrosion inhibitor PRC-迪索托国际公司 2024-01-09 CN claimed
WO-2022187844-A1 COATING COMPOSITIONS COMPRISING A POLYSULFIDE CORROSION INHIBITOR PRC-DESOTO INTERNATIONAL, INC. (US) 2022-09-09 WO claimed
US-8420300-B2 Method of producing multilayer printed wiring board and photosensitive dry film used therefor IBIDEN CO., LTD. (JP) 2013-04-16 US claimed
US-5104919-A With curing retardant or flame retardant triazole compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 1992-04-14 US claimed
US-12630740-B2 Compositions containing thermally conductive fillers PPG INDUSTRIES OHIO, INC. (US) 2026-05-19 US disclosed
US-12577412-B2 Corrosion inhibiting coating compositions PRC-DESOTO INTERNATIONAL, INC. (US) 2026-03-17 US disclosed
EP-4136139-B1 USE OF A COATING FORMED FROM A COMPOSITION CONTAINING THERMALLY CONDUCTIVE FILLERS TO PROVIDE A SUBSTRATE WITH THERMAL AND FIRE PROTECTION PPG IND OHIO INC (US) 2025-08-20 EP disclosed
WO-2025151695-A1 COATING COMPOSITIONS COMPRISING MAGNESIUM OXIDE AND A LITHIUM COMPOUND PRC-DESOTO INTERNATIONAL, INC. (US) 2025-07-17 WO disclosed
WO-2025104108-A1 ADDITION-CROSSLINKABLE LIQUID SILICONE RUBBER COMPOSITION WITH LOW TOTAL VOLATILE CONTENT MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2025-05-22 WO disclosed
EP-4136136-B1 CONTROLLING CURE RATE WITH WETTED FILLER PRC DESOTO INT INC (US) 2025-01-29 EP disclosed
WO-2024248935-A1 COMPOSITIONS CONTAINING THERMALLY CONDUCTIVE FILLER AND THERMALLY EXPANDABLE MATERIAL PPG INDUSTRIES OHIO, INC. (US) 2024-12-05 WO disclosed
EP-0732373-A1 Curable silicone composition Dow Corning Toray Silicone Company Limited (JP) 1996-09-18 EP disclosed
EP-0388201-B1 Curable silicone composition SHINETSU CHEMICAL CO (JP) 1994-12-14 EP disclosed
EP-0517524-A1 Roll base-forming composition and fixing roll SHIN-ETSU CHEMICAL CO., LTD. (JP) 1992-12-09 EP disclosed
US-5104919-A With curing retardant or flame retardant triazole compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 1992-04-14 US disclosed
EP-0388201-A2 Curable silicone composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1990-09-19 EP disclosed
US-4310444-A POLYSILOXANES, SILICA, PLATINUM OR PLATINUM COMPOUND, FATTY ACID OR ITS SALT AND A PEROXIDE TORAY SILICONE COMPANY, LTD. (JP) 1982-01-12 US disclosed
US-4156674-A PLATINUM OR COMPOUND THEREOF, CARBON BLACK AND A TRIAZOLE FOR SELF-EXTINGUISHING CHARACTER, CURING CATALYST AND A SILICON CONTAINING CROSSLINKER TORAY SILICONE COMPANY, LTD. (JP) 1979-05-29 US disclosed
US-4087399-A ORGANO-POLYSILOXANE, SILICA FILLER, PLATINUM, CARBON BLACK, TITANIUM DIOXIDE, AND TRIAZOLE COMPOUND TORAY SILICONE COMPANY, LTD. (JA) 1978-05-02 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 (2 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-12630740-B2 Compositions containing thermally conductive fillers ATP5MK, ITGAM, HNRNPM CYP3A4 1775/4885CYP2C9 853/4885CYP2C19 1746/4885
US-12577412-B2 Corrosion inhibiting coating compositions MGMT, MBD2, MECP2 CYP3A4 2159/4885CYP2C9 4082/4885CYP2C19 2375/4885

“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.