SCHEMBL6844129

SCHEMBL6844129

O=C(NCC1CCNCC1)Nc1ncc(-c2ccccc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.52
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
CDK5 Q00535 1/20 0.51
CNR1 P21554 1/20 0.51
MKNK1 Q9BUB5 1/20 0.51
ATG4B Q9Y4P1 2/20 0.50
ACP1 P24666 1/20 0.49
GSTO1 P78417 1/20 0.49
USP30 Q70CQ3 3/20 0.48
SCD O00767 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
UCHL1 P09936 1/20 0.47
NAMPT P43490 3/20 0.46
FPR3 P25089 2/20 0.46
FPR2 P25090 2/20 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
Trifluoroacetic Acid SCHEMBL6846515 0.94 KDR (0.46) KDRCCNE1CDK2CDK5CNR1
SCHEMBL6844027 0.85 MKNK1 (0.54) KDRCCNE1CDK2CDK5CNR1
SCHEMBL7115045 0.79 USP30 (0.49) KDRCCNE1CDK2CDK5CNR1
SCHEMBL19296044 0.77 MKNK1 (0.64) KDRCCNE1CDK2CDK5CNR1
SCHEMBL5353923 0.76 CNR2 (0.59) KDRCCNE1CDK2CDK5MKNK1
SCHEMBL6282648 0.76 NAMPT (0.68) KDRCCNE1CDK2CDK5CNR1
Hydrochloric Acid SCHEMBL17632594 0.76 MKNK1 (0.63) KDRCCNE1CDK2CDK5CNR1
Hydrochloric Acid SCHEMBL17632596 0.76 MKNK1 (0.63) KDRCCNE1CDK2CDK5CNR1
SCHEMBL5360700 0.76 KDR (0.55) KDRCCNE1CDK2CDK5CNR1
SCHEMBL18987104 0.75 USP30 (0.57) KDRCCNE1CDK2CDK5MKNK1

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-20040242637-A1 Tyrosine kinase inhibitors HARTMAN GEORGE D (US) 2004-12-02 US claimed
WO-2003015717-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-27 WO claimed
US-20040242637-A1 Tyrosine kinase inhibitors HARTMAN GEORGE D (US) 2004-12-02 US disclosed
WO-2003015717-A2 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-20040242637-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885CCNE1 1131/4885CDK2 89/4885

“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.