SCHEMBL16108752

SCHEMBL16108752

C/C(=N/NC(=N)N)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
▸ PLK4 O00444 1/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ CHUK O15111 1/20 0.47
▸ DAPK3 O43293 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ PAK4 O96013 1/20 0.47
▸ CHEK2 O96017 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ PRKACA P17612 1/20 0.47
▸ FGFR3 P22607 1/20 0.47
▸ RPS6KB1 P23443 1/20 0.47
▸ CDK2 P24941 1/20 0.47

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 1.00 MAOA (0.54) MAOAMAOBPLD2PLD1VCP
SCHEMBL13941381 0.91 EGFR (0.52) PLD2PLD1PLK4CHEK1AURKA
SCHEMBL13941706 0.90 MAOA (0.54) MAOAMAOBPLD2PLD1VCP
SCHEMBL13941451 0.89 EGFR (0.56) PLD2PLD1PLK4CHEK1AURKA
SCHEMBL13941532 0.89 EGFR (0.50) PLD2PLD1PLK4CHEK1AURKA
SCHEMBL16108828 0.89 EGFR (0.56) PLD2PLD1PLK4CHEK1AURKA
SCHEMBL13941453 0.89 EGFR (0.58) PLD2PLD1PLK4CHEK1AURKA
SCHEMBL13941469 0.89 NPC1 (0.55) MAOAMAOBPLD2PLD1PLK4
SCHEMBL13941533 0.88 EGFR (0.49) PLD2PLD1PLK4CHEK1AURKA
SCHEMBL13941552 0.87 NPC1 (0.48) MAOAMAOBPLD2PLD1PLK4

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-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

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-20140294767-A1 METHOD OF TREATING HCV INFECTION WITH A SMALL MOLECULE CHK2 INHIBITOR CHEK2, CHEK1, CDK2 MAOA 4780/4885MAOB 4580/4885PLD2 1901/4885

“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.

Send feedback