SCHEMBL3969032

SCHEMBL3969032

CCc1cc(C)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
BACE1 P56817 1/20 0.56
KDM4E B2RXH2 6/20 0.50
PDE10A Q9Y233 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
GAA P10253 2/20 0.47
NPFFR1 Q9GZQ6 1/20 0.47
NPFFR2 Q9Y5X5 1/20 0.47
ACHE P22303 1/20 0.46
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL13777688 0.85 KDM4E (0.62) CYP1A2BACE1KDM4EPDE10AALDH1A1
SCHEMBL4848307 0.83 CYP1A2 (0.58) CYP1A2BACE1KDM4EPDE10AALDH1A1
SCHEMBL3396050 0.83 CYP1A2 (0.58) CYP1A2BACE1KDM4EPDE10AALDH1A1
SCHEMBL28589683 0.83 CYP1A2 (0.58) CYP1A2BACE1KDM4EPDE10AALDH1A1
SCHEMBL526457 0.83 CYP1A2 (0.58) CYP1A2BACE1KDM4EPDE10AALDH1A1
SCHEMBL9184895 0.82 KDM4E (0.50) CYP1A2BACE1KDM4EALDH1A1HPGD
SCHEMBL8671753 0.82 CYP1A2 (0.53) CYP1A2BACE1KDM4EPDE10AALDH1A1
SCHEMBL25523587 0.81 CYP1A2 (0.51) CYP1A2BACE1KDM4EPDE10AALDH1A1
SCHEMBL3970182 0.81 KDM4E (0.49) CYP1A2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL10733967 0.80 ADAM17 (0.46) CYP1A2KDM4EALDH1A1HPGDSMN1; 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117945995-A Alkylated nitrogen-containing heterocyclic compound and preparation method and application thereof 中国科学院青海盐湖研究所 2024-04-30 CN disclosed
US-11302870-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2022-04-12 US disclosed
US-20190288206-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-09-19 US disclosed
CN-106833623-B A kind of fluorescence probe and preparation method thereof 广东工业大学 2019-08-06 CN disclosed
WO-2018067659-A1 A CHEMOPROTEOMIC APPROACH FOR DISCOVERING COVALENT LIGANDS FOR DIVERSE PROTEIN TARGETS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2018-04-12 WO disclosed
CN-106833623-A A kind of fluorescence probe and preparation method thereof 广东工业大学 2017-06-13 CN disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 US disclosed
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
US-7015217-B2 Cyclic sulfone derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-21 US disclosed
US-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
WO-2003040103-A1 β-SULFONE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-15 WO disclosed
WO-2003031431-A1 CYCLIC SULFONE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$G(A) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-17 WO disclosed
US-4684693-A Thermosettable polymer or prepolymer prepared from heterocyclic materials containing a nitrogen atom and carboxylic acid mono- or dianhydride with N,N'-bis-imide THE DOW CHEMICAL COMPANY (US) 1987-08-04 US disclosed
EP-0107988-B1 IMIDAZO (1,2-A)QUINOLINES, THEIR SALTS, THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1987-07-29 EP disclosed
US-4668767-A Thermosettable polymer or prepolymer prepared from heterocyclic material containing a nitrogen atom and carboxylic acid mono- or dianhydride THE DOW CHEMICAL COMPANY (US) 1987-05-26 US disclosed
US-4647616-A Thermosettable polymer or prepolymer prepared from herterocycle material containing a nitrogen atom and carboxylic acid mono- or dianhydride THE DOW CHEMICAL COMPANY (US) 1987-03-03 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 (4 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-11302870-B2 Materials for electronic devices EFNA1, PNMT, FLNB CYP1A2 139/4885BACE1 3326/4885KDM4E 2604/4885
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 CYP1A2 1247/4885BACE1 72/4885KDM4E 2397/4885
US-20190288206-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, PNMT, FLNB CYP1A2 135/4885BACE1 3291/4885KDM4E 2613/4885
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 CYP1A2 356/4885BACE1 111/4885KDM4E 1962/4885

“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.