SCHEMBL5360700

SCHEMBL5360700

O=C(Nc1ncc(-c2ccccc2)s1)NN1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.55
CNR1 P21554 1/20 0.54
MKNK1 Q9BUB5 1/20 0.54
GSTO1 P78417 1/20 0.52
CHEK1 O14757 2/20 0.52
CDK7 P50613 1/20 0.52
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
CDK5 Q00535 1/20 0.51
SCD O00767 1/20 0.51
UCHL1 P09936 1/20 0.49
ACP1 P24666 1/20 0.49
USP30 Q70CQ3 6/20 0.47
OTUD7B Q6GQQ9 2/20 0.47
CNR2 P34972 1/20 0.46
NPY5R Q15761 1/20 0.45

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
SCHEMBL5367612 0.84 MKNK1 (0.57) KDRCNR1MKNK1GSTO1CCNE1
SCHEMBL5354063 0.84 MKNK1 (0.64) KDRCNR1MKNK1GSTO1CCNE1
SCHEMBL5357836 0.83 KDR (0.52) KDRCNR1MKNK1GSTO1CCNE1
SCHEMBL5356934 0.81 KDR (0.50) KDRCNR1MKNK1GSTO1CHEK1
SCHEMBL5359220 0.81 MKNK1 (0.57) KDRCNR1MKNK1GSTO1CCNE1
SCHEMBL5353583 0.80 MKNK1 (0.55) KDRCNR1MKNK1GSTO1CCNE1
SCHEMBL5354171 0.80 MKNK1 (0.55) KDRCNR1MKNK1GSTO1CCNE1
SCHEMBL5353588 0.80 MKNK1 (0.55) KDRCNR1MKNK1GSTO1CCNE1
SCHEMBL14408030 0.79 CNR2 (0.62) KDRCNR1MKNK1GSTO1CHEK1
SCHEMBL5349672 0.79 KDR (0.47) KDRCNR1MKNK1GSTO1CHEK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-20040192926-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2004-09-30 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-20040192926-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CNR1 3794/4885MKNK1 82/4885

“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.