SCHEMBL4766967

SCHEMBL4766967

Cn1c(COc2ccc(-c3n[nH]cc3-c3ccncc3)cc2)nc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.58
NPC1 O15118 6/20 0.58
PDE10A Q9Y233 6/20 0.55
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LGALS3 P17931 1/20 0.48
PDE4D Q08499 1/20 0.48
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE3B Q13370 1/20 0.44

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
SCHEMBL30122891 1.00 RAB9A (0.58) RAB9ANPC1PDE10AMAPTHPGD
SCHEMBL17088215 0.86 PDE10A (0.75) RAB9ANPC1PDE10ASMN1; SMN2LGALS3
SCHEMBL4724444 0.84 PDE10A (0.76) RAB9ANPC1PDE10ALGALS3PDE4D
SCHEMBL30123130 0.84 PDE10A (0.76) RAB9ANPC1PDE10ALGALS3PDE4D
SCHEMBL4763295 0.82 PDE10A (0.61) RAB9ANPC1PDE10APDE4APDE4B
SCHEMBL30123203 0.82 PDE10A (0.61) RAB9ANPC1PDE10ALGALS3PDE4D
SCHEMBL4766725 0.82 PDE10A (0.61) RAB9ANPC1PDE10ALGALS3PDE4D
SCHEMBL30123040 0.80 RAB9A (0.56) RAB9ANPC1PDE10AMAPTHPGD
SCHEMBL4763361 0.80 RAB9A (0.56) RAB9ANPC1PDE10AMAPTHPGD
SCHEMBL30123171 0.79 PDE10A (0.68) RAB9ANPC1PDE10ALGALS3PDE4D

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
EP-1979343-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS Pfizer Products Inc. (US) 2008-10-15 EP claimed
WO-2007077490-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-07-12 WO claimed
US-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2007-07-05 US claimed
EP-4103161-B1 COMPOSITIONS AND USES THEREOF BENEVOLENTAI CAMBRIDGE LTD (GB) 2023-12-20 EP disclosed
US-20230149385-A1 COMPOSITIONS AND USES THEREOF Benevolentai Cambridge Limited (GB) 2023-05-18 US disclosed
EP-4103161-A1 COMPOSITIONS AND USES THEREOF BenevolentAI Cambridge Limited (GB) 2022-12-21 EP disclosed
EP-1979343-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS Pfizer Products Inc. (US) 2008-10-15 EP disclosed
WO-2007077490-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-07-12 WO 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-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2007-07-05 US disclosed
US-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2007-07-05 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 (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-20230149385-A1 COMPOSITIONS AND USES THEREOF PDE2A, PDE3A, PDE3B RAB9A 1032/4885NPC1 3911/4885PDE10A 5/4885
US-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PDE12, PDE10A, PDE7A RAB9A 334/4885NPC1 1991/4885PDE10A 2/4885

“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.