SCHEMBL358400

SCHEMBL358400

COCCOc1cnc2ccc(OCc3nn(-c4cccc(C(=O)N(C)C)c4)ccc3=O)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.37
MIF P14174 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP26A1 O43174 1/20 0.36
MET P08581 7/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA2A P29274 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP2C9 P11712 1/20 0.33
NAMPT P43490 1/20 0.33
CECR2 Q9BXF3 1/20 0.33
EGFR P00533 1/20 0.32
BTK Q06187 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
SCHEMBL14926826 0.85 KDM4E (0.42) CYP3A4CYP26A1SMN1; SMN2NPC1RAB9A
SCHEMBL359327 0.85 FBP1 (0.38) CACNA2D1MIFCYP3A4METNPC1
SCHEMBL359034 0.81 MET (0.51) MIFCYP3A4METCYP2C9
SCHEMBL10283533 0.81 MET (0.50) MIFCYP3A4METSMN1; SMN2CYP2C9
SCHEMBL368757 0.79 MET (0.37) MIFCYP3A4MET
SCHEMBL368129 0.79 MIF (0.40) MIFCYP3A4MET
SCHEMBL14916094 0.76 MET (0.38) MIFCYP3A4METCYP2C9
SCHEMBL360253 0.75 MET (0.43) MIFCYP3A4MET
SCHEMBL360808 0.74 PDE10A (0.42) CYP3A4CYP26A1SMN1; SMN2NPC1RAB9A
SCHEMBL12503439 0.71 MET (0.40) CYP3A4METCYP2C9

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 5 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
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 CACNA2D1 3808/4885MIF 945/4885CYP3A4 4244/4885

“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.