SCHEMBL13941573

SCHEMBL13941573

CC(=N)N/N=C(\C)c1ccc(NC(=O)c2cc3cc(O)ccc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.51
▸ PIK3CA P42336 2/20 0.51
▸ NHERF1 O14745 2/20 0.49
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ TP53 P04637 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ PLD2 O14939 1/20 0.46
▸ PLD1 Q13393 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ABL1 P00519 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ KIT P10721 1/20 0.44
▸ BCR P11274 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ PYGL P06737 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43

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
SCHEMBL13941375 0.92 EGFR (0.49) EGFRPIK3CANHERF1NPC1RAB9A
SCHEMBL13941576 0.89 NPC1 (0.61) EGFRPIK3CANHERF1NPC1RAB9A
SCHEMBL13941626 0.88 EGFR (0.61) EGFRPIK3CANHERF1NPC1RAB9A
SCHEMBL13941572 0.87 TP53 (0.59) EGFRPIK3CANPC1RAB9ARXFP1
SCHEMBL13941381 0.84 EGFR (0.52) EGFRPIK3CANHERF1NPC1RAB9A
SCHEMBL13941582 0.83 TP53 (0.48) EGFRPIK3CANHERF1NPC1RAB9A
SCHEMBL13941592 0.83 KDM4E (0.67) EGFRPIK3CANHERF1NPC1RAB9A
SCHEMBL13941628 0.83 POLB (0.54) EGFRPIK3CANHERF1NPC1RAB9A
SCHEMBL13941655 0.83 EGFR (0.51) EGFRPIK3CANHERF1NPC1RAB9A
SCHEMBL13941641 0.82 EGFR (0.50) EGFRPIK3CANHERF1NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018141-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. 2009-01-15 — — 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-20090018141-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH CHEK2, ATM, CHEK1 EGFR 1827/4885PIK3CA 821/4885NHERF1 4282/4885

“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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