SCHEMBL10285802

SCHEMBL10285802

CCn1nc(-c2ccc(Oc3cn4c(n3)CCCC4)cc2)c2ncccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
WDR5 P61964 6/20 0.36
LMNA P02545 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE10A Q9Y233 2/20 0.35
ALDH1A1 P00352 2/20 0.34
TPH1 P17752 3/20 0.33
TPH2 Q8IWU9 3/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
PTGS2 P35354 2/20 0.32
TGFBR1 P36897 1/20 0.31
LTA4H P09960 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31

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
Hydrochloric Acid SCHEMBL569058 0.99 HRH3 (0.37) HRH3WDR5LMNANPC1RAB9A
SCHEMBL570750 0.78 PTGS2 (0.40) KMT2APDE10AALDH1A1PDE1APDE1B
SCHEMBL570346 0.76 NPC1 (0.43) HRH3LMNANPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL15065035 0.76 NPC1 (0.43) HRH3LMNANPC1RAB9AKMT2A
SCHEMBL570261 0.74 MEN1 (0.44) KMT2APDE10AALDH1A1PDE1APDE1B
SCHEMBL10285532 0.74 KDM4E (0.38) NPC1RAB9AGAAKMT2APDE10A
SCHEMBL570539 0.73 LTA4H (0.38) PDE10APTGS2LTA4H
SCHEMBL12473771 0.72 WDR5 (0.46) HRH3WDR5LMNANPC1RAB9A
SCHEMBL15064650 0.71 OPRM1 (0.41) ALDH1A1KDM4EHTT
SCHEMBL15064484 0.71 PDE10A (0.43) LMNANPC1RAB9AGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 US disclosed
WO-2012018909-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-09 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 (1 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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A HRH3 1416/4885WDR5 3175/4885LMNA 1292/4885

“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.