SCHEMBL3270047

SCHEMBL3270047

c1ccc(COc2ccc(-n3cncc3-c3ccncc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.47
▸ KCNH2 Q12809 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ HMOX1 P09601 1/20 0.44
▸ HSP90AA1 P07900 2/20 0.44
▸ HSP90AB1 P08238 2/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ PRMT5 O14744 1/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PTGER1 P34995 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ PTGS1 P23219 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
SCHEMBL5517504 0.84 HMOX1 (0.43) HMOX1HSP90AA1HSP90AB1SMN1; SMN2NPC1
SCHEMBL3270025 0.80 PDE10A (0.64) CYP1A2
SCHEMBL30123147 0.80 PDE10A (0.64) CYP1A2
SCHEMBL30123136 0.79 RAB9A (0.57) SMN1; SMN2NPC1RAB9AMAPK1LMNA
SCHEMBL4763336 0.79 RAB9A (0.57) SMN1; SMN2NPC1RAB9AMAPK1LMNA
SCHEMBL5514395 0.79 RAB9A (0.61) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL1957932 0.77 F2 (0.62) F2KCNH2GRIN2BPRMT5SMN1; SMN2
SCHEMBL3274523 0.76 HSP90AA1 (0.52) HSP90AA1HSP90AB1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL21978557 0.76 HPGDS (0.52) HMOX1CYP11B1CYP11B2MDM2SMN1; SMN2
SCHEMBL3270166 0.74 ENPP2 (0.41) HSP90AA1HSP90AB1CYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102491969-A Heteroaromatic quinoline compounds PFIZER PROD INC 2012-06-13 — — CN disclosed
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
CN-101098866-A Heteroaromatic quinoline compounds and their use as pde10 inhibitors PFIZER (US) 2008-01-02 — — CN 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-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2007-07-05 — — US 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 (3 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 F2 4044/4885KCNH2 1155/4885GRIN2B 2252/4885
US-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PDE12, PDE10A, PDE7A F2 3459/4885KCNH2 2648/4885GRIN2B 1395/4885
US-20080214607-A1 HETEROAROMATIC QUINOLINE COMPOUNDS PDE12, PDE7A, PDE4A F2 4044/4885KCNH2 1155/4885GRIN2B 2252/4885

“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.

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