SCHEMBL5108707

SCHEMBL5108707

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.41
▸ PTK2B Q14289 1/20 0.41
▸ ABL1 P00519 3/20 0.40
▸ ATM Q13315 13/20 0.39
▸ SRC P12931 1/20 0.39
▸ NTRK1 P04629 1/20 0.38
▸ NTRK3 Q16288 1/20 0.38
▸ NTRK2 Q16620 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ AURKB Q96GD4 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
SCHEMBL5108459 0.91 ABL1 (0.42) PTK2PTK2BABL1ATMSRC
SCHEMBL5113008 0.90 ABL1 (0.42) PTK2PTK2BABL1ATMSRC
SCHEMBL5113146 0.90 ABL1 (0.42) PTK2PTK2BABL1SRCNTRK1
SCHEMBL14191855 0.87 ABL1 (0.43) PTK2PTK2BABL1SRCNTRK1
SCHEMBL5120083 0.87 ABL1 (0.44) PTK2PTK2BABL1ATMSRC
SCHEMBL5106651 0.86 RET (0.42) PTK2PTK2BABL1ATMSRC
SCHEMBL5119497 0.85 BRAF (0.46) PTK2PTK2BABL1SRCAURKA
SCHEMBL5104143 0.83 PTK2 (0.43) PTK2PTK2BABL1SRCNTRK1
SCHEMBL5106806 0.83 KDR (0.52) ABL1SRCNTRK1NTRK3NTRK2
SCHEMBL14191891 0.83 BRAF (0.45) PTK2BABL1SRCNTRK1NTRK3

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 5 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
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 PTK2 3377/4885PTK2B 2304/4885ABL1 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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