SCHEMBL13941552

SCHEMBL13941552

C/C(=N\NC(=N)N)c1ccc2[nH]c(C(=O)Nc3ccc4nc(C)ccc4c3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PLD2 O14939 1/20 0.43
▸ PLD1 Q13393 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ PLK4 O00444 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ CHUK O15111 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ PAK4 O96013 1/20 0.42
▸ CHEK2 O96017 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ FGFR3 P22607 1/20 0.42

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
SCHEMBL16108659 0.94 PLD2 (0.44) NPC1RAB9AMEN1KMT2APLD2
SCHEMBL14908414 0.94 PLD2 (0.44) NPC1RAB9AMEN1KMT2APLD2
SCHEMBL13941723 0.91 NPC1 (0.48) NPC1RAB9AMEN1KMT2APLD2
SCHEMBL16108752 0.87 MAOA (0.54) NPC1RAB9AMEN1KMT2APLD2
SCHEMBL13941522 0.87 MAOA (0.54) NPC1RAB9AMEN1KMT2APLD2
SCHEMBL13941508 0.87 NPC1 (0.51) NPC1RAB9AMEN1KMT2APLD2
SCHEMBL16109349 0.87 NPC1 (0.51) NPC1RAB9AMEN1KMT2APLD2
SCHEMBL13941381 0.86 EGFR (0.52) NPC1RAB9AMEN1KMT2APLD2
SCHEMBL16138544 0.85 PLD2 (0.44) NPC1RAB9AMEN1KMT2APLD2
SCHEMBL14908417 0.84 POLB (0.49) NPC1RAB9AMEN1KMT2APLD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278089-B2 Method of treating HCV infection with a small molecule CHK2 inhibitor THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-03-08 — — US disclosed
US-20140294767-A1 METHOD OF TREATING HCV INFECTION WITH A SMALL MOLECULE CHK2 INHIBITOR PROVID PHARMACEUTICALS, INC. 2014-10-02 — — US disclosed
US-8765802-B2 Kinase inhibitors, compositions thereof, and methods of use therewith PROVID PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-8765802-B2 Kinase inhibitors, compositions thereof, and methods of use therewith PROVID PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
EP-2155675-B1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS INC (US) 2014-02-19 — — EP disclosed
WO-2013063462-A2 METHOD OF TREATING HCV INFECTION WITH A SMALL MOLECULE CHK2 INHIBITOR THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-05-02 — — WO disclosed
US-20090018141-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. 2009-01-15 — — US disclosed
US-20090018141-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. 2009-01-15 — — US disclosed
WO-2008156573-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. (US) 2008-12-24 — — WO 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 (2 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-20140294767-A1 METHOD OF TREATING HCV INFECTION WITH A SMALL MOLECULE CHK2 INHIBITOR CHEK2, CHEK1, CDK2 NPC1 1491/4885RAB9A 1972/4885MEN1 3259/4885
US-20090018141-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH CHEK2, ATM, CHEK1 NPC1 3750/4885RAB9A 2366/4885MEN1 2054/4885

“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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