SCHEMBL2928815

SCHEMBL2928815

CN(C)CCNC(=O)c1ccc(Cl)c(Nc2cncc(-c3ccc(OC(=O)C(F)(F)F)cc3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.50
FYN P06241 5/20 0.47
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ABL1 P00519 3/20 0.41
BCR P11274 3/20 0.41
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
PIM3 Q86V86 4/20 0.40
FGFR2 P21802 1/20 0.39
IKBKB O14920 1/20 0.39
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
MAPK14 Q16539 1/20 0.38
RAD52 P43351 1/20 0.38
CDC7 O00311 1/20 0.38
CDK19 Q9BWU1 1/20 0.38

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
SCHEMBL2930094 0.92 HDAC4 (0.43) KDRFYNHDAC4HDAC1HDAC6
SCHEMBL2933651 0.90 PIM3 (0.52) KDRFYNHDAC4HDAC1HDAC6
Trifluoroacetic Acid SCHEMBL2928813 0.89 KDR (0.51) KDRFYNHDAC4HDAC1HDAC6
SCHEMBL13515288 0.87 KDR (0.56) KDRFYNHDAC4HDAC1HDAC6
SCHEMBL2933026 0.85 FYN (0.57) KDRFYNABL1BCRPIM3
SCHEMBL2927172 0.82 PIM3 (0.51) FYNHDAC4HDAC1HDAC6ABL1
Trifluoroacetic Acid SCHEMBL2930092 0.81 HDAC4 (0.44) KDRHDAC4HDAC1HDAC6PIM3
Trifluoroacetic Acid SCHEMBL2933649 0.79 PIM3 (0.52) KDRFYNHDAC4HDAC1HDAC6
SCHEMBL13515294 0.79 KDR (0.47) KDRHDAC4HDAC1HDAC6PIM3
SCHEMBL2935031 0.78 PIM3 (0.40) HDAC4HDAC6ABL1BCRPIM3

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
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 KDR 3834/4885FYN 521/4885HDAC4 1040/4885

“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.