SCHEMBL921482

SCHEMBL921482

CCCc1cccc(CN)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.50
PNMT P11086 1/20 0.50
ENPP2 Q13822 1/20 0.50
NOS1 P29475 4/20 0.48
NOS2 P35228 4/20 0.48
ALDH1A1 P00352 2/20 0.48
NOS3 P29474 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP3A4 P08684 1/20 0.48
NFKB1 P19838 1/20 0.48
TAAR1 Q96RJ0 4/20 0.47
KIF11 P52732 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42

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
SCHEMBL27570606 0.94 HRH3 (0.50) LOXL2PNMTENPP2NOS1NOS2
SCHEMBL380954 0.88 CNR1 (0.50) NOS1NOS2NOS3TAAR1KIF11
SCHEMBL920929 0.87 LPL (0.49) LOXL2PNMTENPP2NOS1NOS2
SCHEMBL3057497 0.86 TAAR1 (0.63) LOXL2NOS1SMN1; SMN2TAAR1KIF11
Propylamine SCHEMBL4356386 0.86 LOXL2 (0.55) LOXL2PNMTENPP2NOS1NOS2
SCHEMBL28208656 0.85 LOXL2 (0.60) LOXL2PNMTENPP2NOS1NOS2
SCHEMBL920969 0.85 LPL (0.56) TLR8
SCHEMBL15345501 0.84 LPL (0.57) TLR8
SCHEMBL15345523 0.84 LPL (0.57) TLR8
SCHEMBL921341 0.84 LPL (0.57) TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 EP disclosed
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 US disclosed
US-20220002251-A1 HUMAN TLR8-SELECTIVE AGONISTS UNIVERSITY OF KANSAS (US) 2022-01-06 US disclosed
EP-3337481-B1 QUINOLINE-2-AMINE DERIVATIVES AS HUMAN TLR8-SELECTIVE AGONISTS FOR INCREASING IMMUNE RESPONSE UNIV KANSAS (US) 2020-11-11 EP disclosed
WO-2019195720-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2019-10-10 WO disclosed
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2019-05-02 US disclosed
CN-103947031-B Organic electrolyte and organic electrolyte secondary battery 吉坤日矿日石能源株式会社 2017-07-11 CN disclosed
CN-104025364-B Organic bath and organic bath accumulator 吉坤日矿日石能源株式会社 2017-03-08 CN disclosed
WO-2017034986-A1 HUMAN TLR8-SELECTIVE AGONISTS UNIVERSITY OF KANSAS (US) 2017-03-02 WO disclosed
EP-2657214-B1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2017-02-15 EP disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 US disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 US disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 US disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 US disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 US disclosed
EP-1740551-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
WO-2005105760-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 WO disclosed
CN-1054803-C Polycarbonic acid ester resin layered products absorbing near-infrared and formed products made of same DAICEL CHEM (JP) 2000-07-26 CN disclosed
CN-1094354-A Polycarbonate-based resin laminate of absorption near infrared ray and formed body thereof DAICEL CHEM (JP) 1994-11-02 CN 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 (5 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-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 LOXL2 2209/4885PNMT 1739/4885ENPP2 524/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 LOXL2 2209/4885PNMT 1739/4885ENPP2 524/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 LOXL2 3474/4885PNMT 2144/4885ENPP2 2098/4885
US-20220002251-A1 HUMAN TLR8-SELECTIVE AGONISTS TLR7, TLR8, TLR9 LOXL2 2014/4885PNMT 4710/4885ENPP2 714/4885
US-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 LOXL2 1785/4885PNMT 3530/4885ENPP2 797/4885

“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.