SCHEMBL123148

SCHEMBL123148

Nc1n[nH]c2cccnc12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.52
GRM4 Q14833 15/20 0.50
DYRK1A Q13627 1/20 0.47
ITK Q08881 1/20 0.46

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
SCHEMBL29498332 1.00 PDPK1 (0.52) PDPK1GAAKDM4ECYP3A4GRM4
Hydrochloric Acid SCHEMBL30278764 0.98 PDPK1 (0.50) PDPK1GAAKDM4ECYP3A4GRM4
Hydrochloric Acid SCHEMBL29647922 0.98 PDPK1 (0.50) PDPK1GAAKDM4ECYP3A4GRM4
Urea SCHEMBL28025849 0.91 ITK (0.44) PDPK1GAAKDM4ECYP3A4GRM4
SCHEMBL2490624 0.88 ITK (0.45) PDPK1GAAKDM4ECYP3A4GRM4
SCHEMBL27085309 0.82 GRM4 (0.38) PDPK1GAAKDM4ECYP3A4GRM4
Hydrochloric Acid SCHEMBL29207569 0.81 GRM4 (0.37) PDPK1GAAKDM4ECYP3A4GRM4
SCHEMBL23495733 0.76 NUDT1 (0.43) PDPK1GAAKDM4ECYP3A4GRM4
SCHEMBL569822 0.75 GRM4 (0.50) GRM4ITK
SCHEMBL516990 0.75 GRM4 (0.50) GRM4ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250143992-A1 VAT PLUS OXIDATIVE COLORS WELLA GERMANY GMBH (DE) 2025-05-08 US claimed
EP-3873407-B1 TWO-COMPONENT SYSTEM FOR ARTIFICIAL HAIR DYEING HENKEL AG & CO KGAA (DE) 2025-04-09 EP claimed
EP-4475959-A1 HAIR COLORING USING OXIDATIVE DYE PRECURSORS COMPRISING PYRAZOLE PRIMARIES AND COUPLERS, IN COMBINATION WITH SOLUBILIZED VAT DYES, FOR IMPROVING COLOR WASH FASTNESS Wella Germany GmbH (DE) 2024-12-18 EP claimed
WO-2023152322-A1 HAIR COLORING USING OXIDATIVE DYE PRECURSORS COMPRISING PYRAZOLE PRIMARIES AND COUPLERS, IN COMBINATION WITH SOLUBILIZED VAT DYES, FOR IMPROVING COLOR WASH FASTNESS WELLA GERMANY GMBH (DE) 2023-08-17 WO claimed
EP-3515913-B1 AZA-INDAZOLE COMPOUNDS FOR USE IN TENDON AND/OR LIGAMENT INJURIES NOVARTIS AG (CH) 2022-05-11 EP claimed
CN-109912606-B Synthesis method of pyrimido indazole compound 新乡医学院 2021-05-04 CN claimed
EP-3638200-A1 PROCESS FOR DYEING KERATIN MATERIALS USING AT LEAST ONE BLUE, PURPLE OR GREEN DYE AND AT LEAST ONE DISULFIDE, THIOL OR PROTECTED THIOL FLUORESCENT DYE L'Oreal (FR) 2020-04-22 EP claimed
CN-111032008-A Method for dyeing keratin materials using at least one blue, violet or green dye and at least one disulfide, thiol or protected thiol fluorescent dye 莱雅公司 2020-04-17 CN claimed
US-10472420-B2 Immune response modifier conjugates 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-11-12 US claimed
EP-2464424-B1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND AN INDOLE COUPLER OREAL (FR) 2019-09-25 EP claimed
WO-2007079202-A2 TREATMENT FOR ACUTE LYMHOBLASTIC LEUKEMIA COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-07-12 WO claimed
EP-1804583-A2 ADJUVANT FOR DNA VACCINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-07-11 EP claimed
EP-1799256-A2 METHOD OF ELICITING AN IMMUNE RESPONSE AGAINST HIV 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-06-27 EP claimed
WO-2006130399-A2 THERAPEUTIC COMBINATIONS AND METHODS INCLUDING IRM COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-12-07 WO claimed
WO-2006063152-A2 IMMUNOSTIMULATORY COMBINATIONS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-06-15 WO claimed
WO-2006042254-A2 ADJUVANT FOR DNA VACCINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-20 WO claimed
WO-2006026394-A2 METHOD OF ELICITING AN IMMUNE RESPONSE AGAINST HIV 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-09 WO claimed
US-20060045885-A1 Method of eliciting an immune response against HIV GOVERNMENT OF THE UNITED STRATS OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES, THE 2006-03-02 US claimed
US-20050267145-A1 Treatment for lung cancer COLEY PHARMACEUTICAL GROUP, INC. 2005-12-01 US claimed
US-20050226878-A1 Therapeutic combinations and methods including IRM compounds 3M INNOVATIVE PROPERTIES COMPANY 2005-10-13 US claimed

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-20250143992-A1 VAT PLUS OXIDATIVE COLORS VAT1, POR, GSR PDPK1 2671/4885GAA 2569/4885KDM4E 464/4885
US-10472420-B2 Immune response modifier conjugates IFNG, CD74, MYD88 PDPK1 4283/4885GAA 3355/4885KDM4E 2631/4885
US-20060045885-A1 Method of eliciting an immune response against HIV CD69, IRF3, CD4 PDPK1 3979/4885GAA 4180/4885KDM4E 4684/4885

“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.