SCHEMBL3272140

SCHEMBL3272140

O=C(Cc1ccncc1)c1ccc(CCc2ccc3ccccc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.46
PDE10A Q9Y233 5/20 0.44
FFAR1 O14842 1/20 0.44
AKR1B1 P15121 1/20 0.44
CYP1A2 P05177 1/20 0.43
ALOX5 P09917 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
CYSLTR1 Q9Y271 3/20 0.42
GPBAR1 Q8TDU6 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
PFKFB3 Q16875 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL3270051 0.82 GPBAR1 (0.66) PDE10AFFAR1AKR1B1ALOX5CYSLTR1
SCHEMBL3271805 0.80 GPBAR1 (0.62) PDE10AFFAR1AKR1B1ALOX5HDAC1
SCHEMBL1695706 0.80 AKR1B1 (0.56) FFAR1AKR1B1CYP1A2ALOX5HDAC1
SCHEMBL3271686 0.80 PDE10A (0.65) PDE10AFFAR1AKR1B1ALOX5CYSLTR1
SCHEMBL3270954 0.75 CYSLTR1 (0.56) FFAR1AKR1B1HDAC1HDAC2CYSLTR1
SCHEMBL3271791 0.74 PDE10A (0.48) PDE10AALOX5CYSLTR1GPBAR1CYSLTR2
SCHEMBL3275392 0.74 PDE10A (0.48) PDE10AALOX5CYSLTR1GPBAR1
SCHEMBL5848713 0.74 PLAU (0.57) CYP1A2HDAC1
SCHEMBL28197583 0.73 CYP1A2 (0.59) PDE10ACYP1A2HDAC1HDAC2CYSLTR1
SCHEMBL15549053 0.73 CYSLTR1 (0.51) PDE10AFFAR1AKR1B1CYP1A2ALOX5

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-7825254-B2 Heteroaromatic quinoline compounds PFIZER INC. (US) 2010-11-02 US disclosed
EP-1841757-B1 HETEROAROMATIC QUINOLINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PFIZER PROD INC (US) 2010-06-30 EP disclosed
US-7429665-B2 Heteroaromatic quinoline compounds PFIZER INC (US) 2008-09-30 US disclosed
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PFIZER INC 2008-09-04 US disclosed
EP-1841757-A2 HETEROAROMATIC QUINOLINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Pfizer Products Incorporated (US) 2007-10-10 EP disclosed
US-20060154931-A1 Heteroaromatic quinoline compounds PFIZER INC 2006-07-13 US disclosed
WO-2006072828-A2 HETEROAROMATIC QUINOLINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2006-07-13 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 (2 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-20060154931-A1 Heteroaromatic quinoline compounds PDE12, PDE7A, PDE4A WNT3A 3907/4885PDE10A 8/4885FFAR1 3936/4885
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PDE12, PDE7A, PDE4A WNT3A 3907/4885PDE10A 8/4885FFAR1 3936/4885

“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.