SCHEMBL415981

SCHEMBL415981

COc1ccc2cc1OCCNC(=O)C1CCN(CC1)Cc1cc(ccc1Cl)Nc1ccnc(n1)N2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 16/20 0.38
JAK2 O60674 15/20 0.38
CDK2 P24941 9/20 0.38
CCNA2 P20248 8/20 0.38
CCNA1 P78396 8/20 0.38
TYK2 P29597 11/20 0.34
JAK1 P23458 9/20 0.34
EGFR P00533 1/20 0.34
JAK3 P52333 6/20 0.34
CYP2D6 P10635 1/20 0.34
TP53 P04637 2/20 0.32
ALK Q9UM73 1/20 0.32
AXL P30530 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31

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
SCHEMBL10258270 0.90 EGFR (0.39) FLT3JAK2CDK2CCNA2CCNA1
SCHEMBL463798 0.90 FLT3 (0.36) FLT3JAK2CDK2CCNA2CCNA1
SCHEMBL414918 0.86 JAK2 (0.36) FLT3JAK2CDK2CCNA2CCNA1
SCHEMBL10258592 0.79 EGFR (0.38) FLT3EGFRTP53AXLTYRO3
SCHEMBL463810 0.79 EGFR (0.36) FLT3EGFRAXLTYRO3MERTK
SCHEMBL414378 0.77 EGFR (0.39) FLT3JAK2CDK2CCNA2CCNA1
SCHEMBL415909 0.76 EGFR (0.38) EGFRTP53
SCHEMBL10258378 0.76 EGFR (0.37) EGFRTP53
SCHEMBL463767 0.75 EGFR (0.38) FLT3JAK2CDK2CCNA2CCNA1
SCHEMBL413802 0.74 EGFR (0.36) FLT3JAK2CDK2CCNA2CCNA1

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 FLT3 2149/4885JAK2 2835/4885CDK2 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.