SCHEMBL369191

SCHEMBL369191

O=c1ccn(-c2cncc(Br)c2)nc1COc1ccc2ncccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
MAPT P10636 8/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.35
TNF P01375 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 4/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CYP3A4 P08684 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 3/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.33
NR2F2 P24468 1/20 0.33

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
SCHEMBL163738 0.88 PDE10A (0.44) PDE10AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL371017 0.82 PDE10A (0.39) PDE10AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL10283803 0.82 MAPT (0.42) PDE10AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL360599 0.81 PDE10A (0.39) PDE10AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL162668 0.81 MET (0.43) PDE10AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL10283802 0.80 PDE10A (0.44) PDE10AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL12503558 0.80 PDE10A (0.44) PDE10AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL14915805 0.80 PDE10A (0.40) PDE10AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL359896 0.79 EIF2AK4 (0.41) PDE10AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL10283804 0.79 PDE10A (0.43) PDE10AMAPTALDH1A1SMN1; SMN2KDM4E

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 9 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-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-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 (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 3303/4885MAPT 2891/4885ALDH1A1 762/4885

“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.