SCHEMBL897869

SCHEMBL897869

Cc1nc(C)c(N(C)c2nc(OCCc3ccccn3)nc(C#N)c2C)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.65
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TYK2 P29597 2/20 0.33
SYK P43405 2/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
BRSK1 Q8TDC3 1/20 0.33
NR1I2 O75469 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
KCNH2 Q12809 1/20 0.32
FES P07332 1/20 0.31
FER P16591 1/20 0.31
FRK P42685 1/20 0.31
CAMK1D Q8IU85 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
SCHEMBL897871 0.79 PDE10A (1.00) PDE10ANR1I2CYP3A4CYP2C9KCNH2
SCHEMBL902813 0.65 PDE10A (0.79) PDE10ANR1I2CYP3A4CYP2C9KCNH2
SCHEMBL899560 0.65 PDE10A (1.00) PDE10ANR1I2CYP3A4CYP2C9KCNH2
SCHEMBL21554435 0.59 MKNK1 (0.51) PDE10AALDH1A1TYK2SYKIRAK4
SCHEMBL11929832 0.59 PDE10A (0.50) PDE10AKDM4EALDH1A1TYK2SYK
SCHEMBL20769878 0.59 SYK (0.47) PDE10AALDH1A1HPGDTYK2SYK
SCHEMBL7770374 0.58 HRH1 (0.50) PDE10AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14544928 0.57 NAMPT (0.43) PDE10AKDM4ENPC1ALDH1A1HPGD
SCHEMBL13439839 0.57 PDE10A (0.43) PDE10AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL12301168 0.56 CA12 (0.47) NPC1ALDH1A1SMN1; SMN2HSD17B10SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621276-B1 2-ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-12-27 EP claimed
US-8785467-B2 Alkoxy pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-07-22 US claimed
EP-2621276-A2 2-ALKOXY PYRIMIDINE PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-08-07 EP claimed
US-20130158056-A1 ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US claimed
WO-2012044561-A2 2-ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO claimed
EP-2621276-B1 2-ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-12-27 EP disclosed
US-8785467-B2 Alkoxy pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-20130158056-A1 ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 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 (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-20130158056-A1 ALKOXY PYRIMIDINE PDE10 INHIBITORS PDE10A, PDE11A, PDE12 PDE10A 1/4885KDM4E 1736/4885NPC1 3209/4885

“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.