SCHEMBL1699296

SCHEMBL1699296

CCn1c(=O)n(-c2ccc(Oc3nc4cccnc4n3C)cc2)c2nccc(C)c21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.41
NCOA3 Q9Y6Q9 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
PABPC1 P11940 1/20 0.37
TP53 P04637 1/20 0.36
LMNA P02545 2/20 0.36
NCOA1 Q15788 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE4B Q07343 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
Water SCHEMBL15643684 0.99 PDE10A (0.41) PDE10ANCOA3HTTMEN1KMT2A
SCHEMBL1699325 0.89 PDE10A (0.42) PDE10ANCOA3HTTMEN1KMT2A
SCHEMBL1702837 0.88 NCOA3 (0.37) PDE10ANCOA3HTTMEN1KMT2A
SCHEMBL1702361 0.87 BRAF (0.39) PDE10ANCOA3HTTMEN1KMT2A
SCHEMBL9980990 0.86 PDE10A (0.44) PDE10ANCOA3HTTMEN1KMT2A
SCHEMBL9981415 0.86 PDE10A (0.37) PDE10ANCOA3HTTMEN1KMT2A
SCHEMBL21759804 0.85 PDE10A (0.36) PDE10ANCOA3HTTMEN1KMT2A
SCHEMBL9982053 0.85 PDE10A (0.41) PDE10ANCOA3HTTMEN1KMT2A
SCHEMBL9980700 0.85 PDE10A (0.36) PDE10ANCOA3HTTMEN1KMT2A
SCHEMBL7703884 0.84 LMNA (0.36) PDE10ANCOA3HTTMEN1KMT2A

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585462-B1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2020-02-26 EP claimed
EP-2723738-B1 CRYSTAL OF FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-03-14 EP claimed
US-9512118-B2 Crystal of fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-06 US claimed
US-8940758-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-27 US claimed
US-8846713-B2 Fused heterocyclic compounds as phosphodiesterases (PDEs) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-30 US claimed
US-20140113932-A1 CRYSTAL OF FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-24 US claimed
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-11-14 US claimed
US-8563575-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-22 US claimed
US-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS CROSSWING INC. (CA) 2013-07-04 US claimed
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 US claimed
US-11931702-B2 Apparatus for purifying crystals using solvent vapors WEST EDISON, INC. (US) 2024-03-19 US disclosed
US-11597713-B2 Method for purifying crystals using solvent vapors WEST EDISON, INC. 2023-03-07 US disclosed
US-20210236954-A1 APPARATUS FOR PURIFYING CRYSTALS USING SOLVENT VAPORS WEST EDISON, INC. 2021-08-05 US disclosed
US-20210107884-A1 METHOD FOR PURIFYING CRYSTALS USING SOLVENT VAPORS WEST EDISON, INC. 2021-04-15 US disclosed
US-10960322-B2 Apparatus for purifying crystals using solvent vapors WE TECHNOLOGIES LIMITED 2021-03-30 US disclosed
WO-2012176934-A1 CRYSTAL OF FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-27 WO disclosed
WO-2011163355-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 WO disclosed
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 US disclosed
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 US disclosed
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 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 (4 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-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A PDE10A 13/4885NCOA3 3203/4885HTT 4135/4885
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A PDE10A 12/4885NCOA3 2287/4885HTT 2950/4885
US-20140113932-A1 CRYSTAL OF FUSED HETEROCYCLIC COMPOUND GRIN2D, GRIN2C, GRIN3A PDE10A 2924/4885NCOA3 853/4885HTT 2105/4885
US-20130303553-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A PDE10A 12/4885NCOA3 2287/4885HTT 2950/4885

“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.