SCHEMBL13941632

SCHEMBL13941632

C=C(N)N/N=C(\C)c1ccc2[nH]c(C(=O)Nc3ccc4[nH]ccc4c3)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.55
▸ RAB9A P51151 4/20 0.49
▸ MAPT P10636 3/20 0.48
▸ PLD2 O14939 1/20 0.46
▸ PLD1 Q13393 1/20 0.46
▸ EGFR P00533 3/20 0.46
▸ PIK3CA P42336 3/20 0.46
▸ MAOA P21397 3/20 0.45
▸ MAOB P27338 2/20 0.45
▸ ABL1 P00519 1/20 0.44
▸ NHERF1 O14745 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PRKCI P41743 1/20 0.41
▸ TP53 P04637 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
SCHEMBL13941636 0.94 NPC1 (0.49) NPC1RAB9AMAPTPLD2PLD1
SCHEMBL13941469 0.91 NPC1 (0.55) NPC1RAB9AMAPTPLD2PLD1
SCHEMBL13941706 0.89 MAOA (0.54) NPC1RAB9AMAPTPLD2PLD1
SCHEMBL13941711 0.87 EGFR (0.50) NPC1RAB9APLD2PLD1EGFR
SCHEMBL13941634 0.87 EGFR (0.56) NPC1RAB9AMAPTPLD2PLD1
SCHEMBL13941709 0.86 EGFR (0.49) NPC1RAB9APLD2PLD1EGFR
SCHEMBL13941579 0.85 EGFR (0.47) NPC1RAB9AMAPTPLD2PLD1
SCHEMBL13941473 0.84 NPC1 (0.49) NPC1RAB9AMAPTPLD2PLD1
SCHEMBL13941702 0.84 EGFR (0.48) NPC1RAB9AMAPTPLD2PLD1
SCHEMBL13941721 0.84 PLD2 (0.43) NPC1RAB9AMAPTPLD2PLD1

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 NPC1 3750/4885RAB9A 2366/4885MAPT 2088/4885

“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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