SCHEMBL5110049

SCHEMBL5110049

CNc1ncnc2c1ncn2-c1ccc(NC(=O)Nc2cc(CCCN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.43
▸ BRAF P15056 2/20 0.43
▸ ABL1 P00519 8/20 0.41
▸ DDR1 Q08345 7/20 0.41
▸ DDR2 Q16832 7/20 0.41
▸ FGFR1 P11362 3/20 0.41
▸ DDX3X O00571 1/20 0.41
▸ SRC P12931 2/20 0.39
▸ AURKA O14965 2/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ EGFR P00533 2/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ PTK2B Q14289 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
SCHEMBL5108623 0.95 DDR1 (0.45) KDRBRAFABL1DDR1DDR2
SCHEMBL5107442 0.95 KDR (0.42) KDRBRAFABL1AURKAAURKB
SCHEMBL5108218 0.93 EPHX2 (0.47) KDRBRAFABL1DDX3XEGFR
SCHEMBL5106806 0.92 KDR (0.52) KDRBRAFABL1DDR1DDR2
SCHEMBL5112292 0.90 KDR (0.43) KDRBRAFABL1DDR1DDR2
SCHEMBL5114085 0.89 EGFR (0.44) KDRBRAFABL1DDR1DDR2
SCHEMBL5119517 0.88 EPHX2 (0.44) KDRBRAFABL1DDX3XSRC
SCHEMBL5116511 0.88 ABL1 (0.41) KDRBRAFABL1DDR1DDR2
SCHEMBL5109035 0.87 SRC (0.46) KDRBRAFABL1DDR1DDR2
SCHEMBL5118082 0.87 BRAF (0.42) KDRBRAFABL1FGFR1SRC

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-8609656-B2 Heteroarylphenylurea derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-12-17 — — US disclosed
US-20080119466-A1 Heteroarylphenylurea Derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-22 — — US disclosed
US-20080119466-A1 Heteroarylphenylurea Derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-22 — — US disclosed
EP-1724258-A1 HETEROARYLPHENYLUREA DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 — — EP 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-20080119466-A1 Heteroarylphenylurea Derivative CHRM1, CBR3, CHRM2 KDR 2440/4885BRAF 1735/4885ABL1 128/4885

“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.

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