SCHEMBL360808

SCHEMBL360808

NC(=O)c1cccc(-n2ccc(=O)c(COc3ccc4ncccc4c3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
MAPT P10636 8/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HDAC3 O15379 1/20 0.39
PARP1 P09874 1/20 0.39
KDR P35968 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
TGFBR1 P36897 2/20 0.38
CYP26A1 O43174 1/20 0.38

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
SCHEMBL14926826 0.89 KDM4E (0.42) PDE10AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL10283802 0.87 PDE10A (0.44) PDE10AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL163738 0.85 PDE10A (0.44) PDE10AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL10283803 0.83 MAPT (0.42) PDE10AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL10283760 0.83 GRM5 (0.45) PDE10AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL12503558 0.82 PDE10A (0.44) PDE10AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL371017 0.81 PDE10A (0.39) PDE10AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL360599 0.81 PDE10A (0.39) PDE10AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL10283804 0.80 PDE10A (0.43) PDE10AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL14915805 0.79 PDE10A (0.40) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US 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.