SCHEMBL414918

SCHEMBL414918

COc1ccc2cc1OCCNC(=O)C1CCCCN1Cc1cc(ccc1Cl)Nc1ccnc(n1)N2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.36
FLT3 P36888 15/20 0.36
CDK2 P24941 9/20 0.36
CCNA2 P20248 8/20 0.36
CCNA1 P78396 8/20 0.36
TYK2 P29597 11/20 0.35
JAK3 P52333 6/20 0.35
CYP2D6 P10635 1/20 0.35
JAK1 P23458 9/20 0.34
EGFR P00533 2/20 0.33
ERBB2 P04626 2/20 0.33
FLT1 P17948 2/20 0.33
EPHA2 P29317 2/20 0.33
KDR P35968 2/20 0.33
EPHB4 P54760 2/20 0.33
PLK4 O00444 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL10258378 0.90 EGFR (0.37) EGFRERBB2FLT1EPHA2KDR
SCHEMBL415909 0.88 EGFR (0.38) EGFRERBB2FLT1EPHA2KDR
SCHEMBL415981 0.86 FLT3 (0.38) JAK2FLT3CDK2CCNA2CCNA1
SCHEMBL463798 0.83 FLT3 (0.36) JAK2FLT3CDK2CCNA2CCNA1
SCHEMBL413775 0.78 JAK2 (0.40) JAK2FLT3CDK2CCNA2CCNA1
SCHEMBL416022 0.78 EGFR (0.38) EGFRTP53
SCHEMBL463820 0.77 EGFR (0.35) JAK2FLT3CDK2CCNA2CCNA1
SCHEMBL414545 0.76 PLK4 (0.37) JAK2FLT3CDK2CCNA2CCNA1
SCHEMBL10258270 0.76 EGFR (0.39) JAK2FLT3CDK2CCNA2CCNA1
SCHEMBL415811 0.75 FLT3 (0.40) JAK2FLT3CDK2CCNA2CCNA1

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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 JAK2 2835/4885FLT3 2149/4885CDK2 882/4885

“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.