SCHEMBL13941702

SCHEMBL13941702

C=C(N)N/N=C(\C)c1ccc2[nH]c(C(=O)Nc3cccc(N)c3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.48
▸ PIK3CA P42336 4/20 0.48
▸ PLD2 O14939 1/20 0.47
▸ PLD1 Q13393 1/20 0.47
▸ NHERF1 O14745 2/20 0.45
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL13941524 0.90 PLK4 (0.51) EGFRPIK3CAPLD2PLD1NHERF1
SCHEMBL13941709 0.89 EGFR (0.49) EGFRPIK3CAPLD2PLD1NHERF1
SCHEMBL13941584 0.87 EGFR (0.49) EGFRPIK3CAPLD2PLD1NHERF1
SCHEMBL13941711 0.86 EGFR (0.50) EGFRPIK3CAPLD2PLD1NHERF1
SCHEMBL13941634 0.86 EGFR (0.56) EGFRPIK3CAPLD2PLD1NHERF1
SCHEMBL13941706 0.85 MAOA (0.54) EGFRPIK3CAPLD2PLD1NHERF1
SCHEMBL16329638 0.84 EGFR (0.66) EGFRPIK3CAPLD2PLD1NHERF1
SCHEMBL13941632 0.84 NPC1 (0.55) EGFRPIK3CAPLD2PLD1NHERF1
SCHEMBL13941579 0.83 EGFR (0.47) EGFRPIK3CAPLD2PLD1NHERF1
SCHEMBL13941636 0.83 NPC1 (0.49) EGFRPIK3CAPLD2PLD1NHERF1

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-8765802-B2 Kinase inhibitors, compositions thereof, and methods of use therewith PROVID PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
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 821/4885PLD2 3431/4885

“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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