SCHEMBL6489480

SCHEMBL6489480

Cc1cc(N(C)C)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
BACE1 P56817 1/20 0.56
TSHR P16473 3/20 0.50
MAPK1 P28482 2/20 0.50
S1PR1 P21453 1/20 0.50
OPRD1 P41143 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
NCF1 P14598 1/20 0.50
ERAP1 Q9NZ08 1/20 0.49
KDM4E B2RXH2 6/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 4/20 0.47
GAA P10253 4/20 0.47
NPFFR1 Q9GZQ6 1/20 0.47
NPFFR2 Q9Y5X5 1/20 0.47

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
SCHEMBL31098971 0.84 CYP1A2 (0.55) CYP1A2BACE1ERAP1KDM4EL3MBTL1
SCHEMBL5910115 0.80 MCHR1 (0.58) CYP1A2BACE1NCF1ERAP1
SCHEMBL6586126 0.79 TSHR (0.61) CYP1A2BACE1TSHRMAPK1S1PR1
SCHEMBL6213496 0.79 S1PR1 (0.49) CYP1A2TSHRMAPK1S1PR1OPRD1
SCHEMBL6457843 0.79 S1PR1 (0.52) CYP1A2TSHRMAPK1S1PR1OPRD1
SCHEMBL6489476 0.79 S1PR1 (0.49) CYP1A2TSHRMAPK1S1PR1OPRD1
SCHEMBL8366862 0.78 KDM4E (0.53) TSHRMAPK1S1PR1OPRD1NCF1
SCHEMBL9830188 0.77 CASP3 (0.42) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL7760642 0.77 S1PR1 (0.47) CYP1A2BACE1TSHRMAPK1S1PR1
SCHEMBL3094761 0.76 CYP1A2 (0.64) CYP1A2BACE1TSHRNCF1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
EP-2083819-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2017-02-22 EP 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
EP-1373199-A4 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-04-07 EP disclosed
EP-1373199-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) Bristol-Myers Squibb Pharma Company (US) 2004-01-02 EP disclosed
WO-2002074738-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-26 WO 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 (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-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS CYP1A2 1595/4885BACE1 806/4885TSHR 2355/4885

“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.