SCHEMBL371017

SCHEMBL371017

O=c1ccn(-c2cc(F)cc(F)c2)nc1COc1ccc2ncccc2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
RAB9A P51151 5/20 0.39
MAPK1 P28482 3/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 8/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 4/20 0.38
LMNA P02545 2/20 0.37
CYP3A4 P08684 1/20 0.36
PPARG P37231 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
MET P08581 1/20 0.35
NR2F2 P24468 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
SCHEMBL360599 0.91 PDE10A (0.39) PDE10ARAB9AMAPK1NPC1MAPT
SCHEMBL14916436 0.91 GRM5 (0.36) PDE10ARAB9AMAPK1NPC1MAPT
SCHEMBL12503558 0.88 PDE10A (0.44) PDE10ARAB9AMAPK1NPC1MAPT
SCHEMBL10283803 0.85 MAPT (0.42) PDE10ARAB9ANPC1MAPTALDH1A1
SCHEMBL10283804 0.84 PDE10A (0.43) PDE10ARAB9AMAPK1NPC1MAPT
SCHEMBL10283802 0.84 PDE10A (0.44) PDE10ARAB9AMAPK1NPC1MAPT
SCHEMBL163738 0.84 PDE10A (0.44) PDE10ARAB9AMAPK1NPC1MAPT
SCHEMBL371334 0.83 MET (0.39) ALDH1A1CYP3A4MET
SCHEMBL14915805 0.83 PDE10A (0.40) PDE10ARAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL162668 0.82 MET (0.43) PDE10ARAB9AMAPTALDH1A1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP claimed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US claimed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO claimed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET PDE10A 3303/4885RAB9A 2325/4885MAPK1 390/4885

“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.