SCHEMBL3270932

SCHEMBL3270932

COc1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.77
NPC1 O15118 6/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
TP53 P04637 2/20 0.77
ALOX15 P16050 1/20 0.77
KMT2A Q03164 5/20 0.75
MEN1 O00255 4/20 0.75
POLB P06746 2/20 0.75
KDM4E B2RXH2 2/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
LMNA P02545 3/20 0.70
NAMPT P43490 1/20 0.69
PSMD14 O00487 1/20 0.69
BCHE P06276 1/20 0.67
ACHE P22303 1/20 0.67
STAT3 P40763 1/20 0.67
ALDH1A1 P00352 2/20 0.66
PKM P14618 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66

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
SCHEMBL20284424 0.95 RAB9A (0.71) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL5456383 0.95 KMT2A (0.72) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL3271513 0.93 RAB9A (0.77) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL5459124 0.89 ROCK2 (0.67) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6799157 0.88 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL19076169 0.87 RAB9A (0.68) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL5188942 0.87 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL14716526 0.86 KDM4E (1.00) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL27193268 0.85 KDM4E (0.76) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3504765 0.84 ROCK2 (0.61) RAB9ANPC1SMN1; SMN2TP53ALOX15

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 9 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
EP-1979343-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS Pfizer Products Inc. (US) 2008-10-15 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
WO-2007077490-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-07-12 WO 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 RAB9A 932/4885NPC1 2427/4885SMN1; SMN2 2299/4885
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PDE12, PDE7A, PDE4A RAB9A 932/4885NPC1 2427/4885SMN1; SMN2 2299/4885

“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.