SCHEMBL14916586

SCHEMBL14916586

Cn1cc(-n2ccc(=O)c(COc3ccc4nc(C#N)sc4c3)n2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.38
PDE10A Q9Y233 1/20 0.35
KCNH2 Q12809 1/20 0.34
CSF1R P07333 3/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ITK Q08881 1/20 0.32
NPC1 O15118 5/20 0.32
RAB9A P51151 5/20 0.32
TDP1 Q9NUW8 2/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL360624 0.82 IRAK4 (0.37) PDE10ANPC1RAB9ATDP1PKM
SCHEMBL14915754 0.80 PDE10A (0.38) PDE10A
SCHEMBL358857 0.79 MET (0.38) PDE10A
SCHEMBL367917 0.79 PDE10A (0.37) CYP3A4PDE10AKCNH2
SCHEMBL359481 0.78 EGFR (0.41) PDE10ACSF1R
SCHEMBL360598 0.78 PDE10A (0.38) PDE10A
SCHEMBL178094 0.78 MET (0.44)
SCHEMBL359817 0.78 MET (0.40) PDE10AALDH1A1HPGD
SCHEMBL361506 0.78 PDE10A (0.42) PDE10A
SCHEMBL162668 0.78 MET (0.43) PDE10ARAB9AMAPTSMN1; SMN2ALDH1A1

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 4 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
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 CYP3A4 4244/4885PDE10A 3303/4885KCNH2 3255/4885

“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.