SCHEMBL13941706

SCHEMBL13941706

C=C(N)N/N=C(\C)c1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C)cc4c3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.54
▸ MAOB P27338 5/20 0.54
▸ PLD2 O14939 1/20 0.48
▸ PLD1 Q13393 1/20 0.48
▸ VCP P55072 4/20 0.47
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ EGFR P00533 2/20 0.45
▸ PIK3CA P42336 2/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.44
▸ NHERF1 O14745 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ HDAC2 Q92769 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
SCHEMBL13941522 0.90 MAOA (0.54) MAOAMAOBPLD2PLD1VCP
SCHEMBL16108752 0.90 MAOA (0.54) MAOAMAOBPLD2PLD1VCP
SCHEMBL13941634 0.89 EGFR (0.56) PLD2PLD1NPC1RAB9ATP53
SCHEMBL13941711 0.89 EGFR (0.50) PLD2PLD1NPC1RAB9ATP53
SCHEMBL13941632 0.89 NPC1 (0.55) MAOAMAOBPLD2PLD1NPC1
SCHEMBL13941709 0.88 EGFR (0.49) PLD2PLD1NPC1RAB9ATP53
SCHEMBL13941723 0.87 NPC1 (0.48) MAOAMAOBPLD2PLD1NPC1
SCHEMBL13941579 0.86 EGFR (0.47) PLD2PLD1NPC1RAB9ATP53
SCHEMBL16138544 0.86 PLD2 (0.44) MAOAMAOBPLD2PLD1NPC1
SCHEMBL13941636 0.86 NPC1 (0.49) MAOAMAOBPLD2PLD1NPC1

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 4 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-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 (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 MAOA 4780/4885MAOB 4580/4885PLD2 1901/4885
US-20090018141-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH CHEK2, ATM, CHEK1 MAOA 4399/4885MAOB 3655/4885PLD2 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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