SCHEMBL2838376

SCHEMBL2838376

N#CCc1cnc2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 1.00
MAPT P10636 1/20 1.00
KMT2A Q03164 1/20 1.00
PDE10A Q9Y233 10/20 0.62
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 2/20 0.39
GPR3 P46089 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
HTT P42858 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38

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
SCHEMBL12066225 0.77 PDE10A (1.00) MEN1MAPTKMT2APDE10A
SCHEMBL1078145 0.74 MEN1 (0.59) MEN1MAPTKMT2APDE10ACYP1A2
SCHEMBL18428551 0.74 MEN1 (0.59) MEN1MAPTKMT2APDE10AALDH1A1
SCHEMBL5792272 0.74 PDE10A (0.69) MEN1MAPTKMT2APDE10ACYP1A2
SCHEMBL2646721 0.74 PDE10A (0.69) MEN1MAPTKMT2APDE10ACYP1A2
SCHEMBL4677179 0.74 PDE10A (0.69) MEN1MAPTKMT2APDE10ACYP1A2
SCHEMBL5247878 0.74 PDE10A (0.69) MEN1MAPTKMT2APDE10ACYP1A2
SCHEMBL17179177 0.74 PDE10A (0.69) MEN1MAPTKMT2APDE10ACYP1A2
SCHEMBL752676 0.74 PDE10A (0.69) MEN1MAPTKMT2APDE10ACYP1A2
SCHEMBL27686 0.74 PDE10A (0.69) MEN1MAPTKMT2APDE10ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112174991-A Fluorescent dye excited and emitted by second window in near infrared region, and preparation method and application thereof 复旦大学 2021-01-05 CN claimed
US-9469741-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2016-10-18 US claimed
EP-2203482-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORP (JP) 2015-11-25 EP claimed
CN-104945540-A Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORP 2015-09-30 CN claimed
US-20150267031-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2015-09-24 US claimed
US-9085646-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2015-07-21 US claimed
EP-1965753-B1 REVERSIBLY CHANGEABLE HAIR COLOR HENKEL AG & CO KGAA (DE) 2013-09-04 EP claimed
US-20130066016-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2013-03-14 US claimed
US-8362156-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2013-01-29 US claimed
US-8314189-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2012-11-20 US claimed
EP-2054012-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS Henkel AG & Co. KGaA (DE) 2009-05-06 EP claimed
WO-2009051700-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (US) 2009-04-23 WO claimed
WO-2009051702-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-04-23 WO claimed
US-20090099325-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION 2009-04-16 US claimed
US-20080301885-A1 REVERSIBLY CHANGEABLE HAIR COLOR HENKEL AG & CO. KGAA (DE) 2008-12-11 US claimed
EP-1965753-A1 REVERSIBLY CHANGEABLE HAIR COLOR Henkel AG & Co. KGaA (DE) 2008-09-10 EP claimed
WO-2008028861-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2008-03-13 WO claimed
WO-2007073922-A1 REVERSIBLY CHANGEABLE HAIR COLOR HENKEL AG & CO. KGAA (DE) 2007-07-05 WO claimed
EP-1778176-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-05-02 EP claimed
WO-2005120445-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-22 WO 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 (1 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-20080301885-A1 REVERSIBLY CHANGEABLE HAIR COLOR TYR, CBR3, COXFA4L2 MEN1 3755/4885MAPT 1605/4885KMT2A 632/4885

“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.