SCHEMBL4767374

SCHEMBL4767374

Cn1ncc(-c2ccncc2)c1-c1ccc(OCc2cn3ccccc3n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 15/20 0.59
▸ PDE4B Q07343 11/20 0.59
▸ PDE4A P27815 10/20 0.59
▸ PDE3B Q13370 9/20 0.59
▸ PDE3A Q14432 9/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52

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
SCHEMBL1423790 0.86 KDM4E (0.65) PDE10ASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL4791752 0.82 PDE10A (0.67) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL11427962 0.80 KDM4E (0.72) PDE10ASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL30123181 0.79 PDE10A (0.79) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL30123112 0.79 PDE10A (0.79) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL3271199 0.79 PDE10A (0.79) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL3270154 0.79 PDE10A (0.79) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL24951298 0.78 PDE10A (0.64) PDE10APDE4BPDE4APDE3BPDE3A
SCHEMBL4861110 0.74 PDE10A (0.69) PDE10APDE4BPDE4ASMN1; SMN2KDM4E
SCHEMBL4763295 0.74 PDE10A (0.61) PDE10APDE4BPDE4APDE3BPDE3A

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
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
CN-115484938-A Composition and use thereof 博善人工智能剑桥有限公司 2022-12-16 — — CN 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

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 PDE10A 5/4885PDE4B 11/4885PDE4A 6/4885
US-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PDE12, PDE10A, PDE7A PDE10A 2/4885PDE4B 11/4885PDE4A 4/4885

“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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