SCHEMBL5452552

SCHEMBL5452552

Cc1cn(-c2cc(NC(=O)Nc3ccc(Oc4cc(-c5cnn(C)c5)ncn4)cc3)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR2E1 Q9Y466 8/20 0.51
▸ MAP4K2 Q12851 1/20 0.51
▸ KDR P35968 8/20 0.50
▸ MAPK14 Q16539 2/20 0.50
▸ TNNI3K Q59H18 2/20 0.50
▸ BRAF P15056 1/20 0.50
▸ LDLR P01130 1/20 0.49
▸ KIT P10721 1/20 0.49
▸ PCSK9 Q8NBP7 1/20 0.49
▸ RAF1 P04049 1/20 0.48
▸ NTRK1 P04629 1/20 0.48

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
SCHEMBL5335173 0.86 KDR (0.59) KDRMAPK14TNNI3KBRAFRAF1
SCHEMBL22528802 0.83 KDR (0.66) NR2E1MAP4K2KDRMAPK14TNNI3K
SCHEMBL827379 0.82 NTRK1 (0.52) NR2E1KDRMAPK14TNNI3KBRAF
SCHEMBL828849 0.81 KDR (0.54) NR2E1KDRBRAFLDLRKIT
SCHEMBL574372 0.81 CSF1R (0.58) KDRBRAF
SCHEMBL573468 0.81 KDR (0.54) NR2E1KDRBRAFLDLRKIT
SCHEMBL22528864 0.80 KDR (0.66) NR2E1MAP4K2KDRMAPK14TNNI3K
SCHEMBL5349430 0.79 NTRK1 (0.67) MAP4K2KDRMAPK14TNNI3KBRAF
SCHEMBL5450727 0.78 KDR (0.53) KDRMAPK14TNNI3KBRAFRAF1
SCHEMBL5460315 0.78 KDR (0.77) KDRBRAFKITRAF1

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-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 — — US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 — — 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-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 NR2E1 2468/4885MAP4K2 13/4885KDR 555/4885

“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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