SCHEMBL1699310

SCHEMBL1699310

Cc1ccnc2c1[nH]c(=O)n2-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PRMT5 O14744 5/20 0.52
MAOA P21397 1/20 0.42
TDP2 O95551 1/20 0.42
NOX4 Q9NPH5 1/20 0.41
PIK3CA P42336 1/20 0.40
PRKDC P78527 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
MMP13 P45452 2/20 0.39
MMP2 P08253 1/20 0.39
EGFR P00533 1/20 0.39
XDH P47989 1/20 0.39
MCHR1 Q99705 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL1699315 0.84 NPC1 (0.50) NPC1RAB9AL3MBTL1PKMSMN1; SMN2
SCHEMBL1699357 0.82 PRMT5 (0.50) NPC1RAB9AL3MBTL1PKMSMN1; SMN2
SCHEMBL1699242 0.81 L3MBTL1 (0.56) NPC1RAB9AL3MBTL1PKMSMN1; SMN2
SCHEMBL1699258 0.81 L3MBTL1 (0.55) NPC1RAB9AL3MBTL1PKMSMN1; SMN2
SCHEMBL1699125 0.80 NPC1 (0.56) NPC1RAB9AL3MBTL1PKMSMN1; SMN2
SCHEMBL1699528 0.80 NPC1 (0.51) NPC1RAB9AL3MBTL1PKMSMN1; SMN2
SCHEMBL15385957 0.79 MAP3K11 (0.41) PKMPIK3CACSNK2A1
SCHEMBL1699174 0.78 NPC1 (0.51) NPC1RAB9AL3MBTL1PKMSMN1; SMN2
SCHEMBL1699548 0.77 NPC1 (0.59) NPC1RAB9AL3MBTL1PKMSMN1; SMN2
SCHEMBL1699185 0.77 NPC1 (0.50) NPC1RAB9AL3MBTL1PKMSMN1; SMN2

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 35 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 disclosed
EP-2585462-B1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2020-02-26 EP disclosed
EP-2723738-B1 CRYSTAL OF FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-03-14 EP disclosed
US-9512118-B2 Crystal of fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-06 US disclosed
US-9512118-B2 Crystal of fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-06 US disclosed
US-9512118-B2 Crystal of fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-06 US disclosed
US-9226921-B2 Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-05 US disclosed
US-9226921-B2 Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-05 US disclosed
US-9226921-B2 Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-05 US disclosed
US-8940758-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-27 US disclosed
US-8563575-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-22 US disclosed
US-8563575-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-22 US disclosed
US-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS CROSSWING INC. (CA) 2013-07-04 US disclosed
US-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS CROSSWING INC. (CA) 2013-07-04 US disclosed
US-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS CROSSWING INC. (CA) 2013-07-04 US disclosed
WO-2011163355-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 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 (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-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A NPC1 3083/4885RAB9A 694/4885L3MBTL1 4592/4885
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A NPC1 3970/4885RAB9A 514/4885L3MBTL1 3941/4885

“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.