SCHEMBL5356934

SCHEMBL5356934

O=C(Nc1ncc(-c2ccccc2)s1)NN1CCN(c2ccccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
HBB P68871 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MKNK1 Q9BUB5 1/20 0.49
CNR1 P21554 1/20 0.49
GSTO1 P78417 1/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
SCD O00767 1/20 0.46
MAPK1 P28482 1/20 0.46
SLC6A7 Q99884 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL5357836 0.89 KDR (0.52) KDRMKNK1CNR1GSTO1MMP1
SCHEMBL14408000 0.85 ALDH1A1 (0.63) KDRLMNAMEN1HBBKMT2A
SCHEMBL5360700 0.81 KDR (0.55) KDRMKNK1CNR1GSTO1CCNE1
SCHEMBL5367612 0.79 MKNK1 (0.57) KDRMKNK1CNR1GSTO1CCNE1
SCHEMBL5354063 0.79 MKNK1 (0.64) KDRMKNK1CNR1GSTO1CCNE1
SCHEMBL5359220 0.77 MKNK1 (0.57) KDRMKNK1CNR1GSTO1CCNE1
SCHEMBL5349672 0.76 KDR (0.47) KDRMKNK1CNR1GSTO1ALDH1A1
SCHEMBL5354171 0.75 MKNK1 (0.55) KDRMKNK1CNR1GSTO1CCNE1
SCHEMBL5353588 0.75 MKNK1 (0.55) KDRMKNK1CNR1GSTO1CCNE1
SCHEMBL5353583 0.75 MKNK1 (0.55) KDRMKNK1CNR1GSTO1CCNE1

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 6 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 claimed
US-20040192926-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2004-09-30 US claimed
WO-2003015778-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-27 WO claimed
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
WO-2003015778-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-27 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-20040192926-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885LMNA 3751/4885MEN1 4406/4885

“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.