SCHEMBL163738

SCHEMBL163738

O=c1ccn(-c2cccc(Br)c2)nc1COc1ccc2ncccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.44
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 8/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 6/20 0.37
NPC1 O15118 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
LMNA P02545 3/20 0.36
CYP1B1 Q16678 1/20 0.35
CYP3A4 P08684 1/20 0.35
POLB P06746 2/20 0.35
PSMD14 O00487 1/20 0.35
TP53 P04637 1/20 0.35
MMP2 P08253 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
SCHEMBL369191 0.88 PDE10A (0.37) PDE10AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL10283802 0.88 PDE10A (0.44) PDE10AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL174256 0.88 CA12 (0.37) PDE10ACA12CA9MAPTALDH1A1
SCHEMBL360808 0.85 PDE10A (0.42) PDE10AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL10283760 0.85 GRM5 (0.45) PDE10AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL12503558 0.84 PDE10A (0.44) PDE10AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL10283803 0.84 MAPT (0.42) PDE10AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL371017 0.84 PDE10A (0.39) PDE10AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL360599 0.83 PDE10A (0.39) PDE10AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL14926826 0.82 KDM4E (0.42) PDE10AMAPTALDH1A1KDM4ESMN1; 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 15 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
EP-2611450-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-10 EP disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP 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
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 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 (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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET PDE10A 3303/4885CA12 4701/4885CA9 4040/4885
US-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 PDE10A 3997/4885CA12 4757/4885CA9 4416/4885

“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.