SCHEMBL4432138

SCHEMBL4432138

NC(=O)c1cc(-c2ccccc2)n[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
CASP1 P29466 1/20 0.53
CHEK1 O14757 1/20 0.49
RET P07949 1/20 0.49
PDGFRB P09619 1/20 0.49
PIM1 P11309 1/20 0.49
PDGFRA P16234 1/20 0.49
GSK3B P49841 1/20 0.49
RPS6KA3 P51812 1/20 0.49
LIMK1 P53667 1/20 0.49
CDK5 Q00535 1/20 0.49
TYRO3 Q06418 1/20 0.49
MAPK14 Q16539 1/20 0.49
LRRK2 Q5S007 1/20 0.49
AURKB Q96GD4 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
GAA P10253 1/20 0.48
POLB P06746 1/20 0.47
RAB9A P51151 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
SCHEMBL1925580 0.87 TP53 (0.62) TP53CHEK1RETPDGFRBPIM1
SCHEMBL11246270 0.86 CASP1 (0.54) CASP1GSK3B
SCHEMBL11229356 0.85 ALDH1A1 (0.56) CHEK1PIM1RXFP1CYP1A2KMT2A
SCHEMBL1927068 0.84 TP53 (0.58) TP53CHEK1RETPDGFRBPIM1
SCHEMBL25140059 0.81 TDP1 (0.52) CASP1LRRK2POLBPARP1KDM4E
SCHEMBL29897026 0.81 CASP1 (0.58) TP53CASP1RETPDGFRBGSK3B
SCHEMBL1925116 0.80 GAA (0.67) TP53CHEK1RETPDGFRBPIM1
SCHEMBL11248830 0.78 POLB (0.35) GSK3BPOLBALPL
SCHEMBL2789578 0.78 TP53 (0.74) TP53CHEK1RETPDGFRBPIM1
SCHEMBL1924655 0.78 GAA (0.63) TP53CHEK1RETPDGFRBPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO disclosed
US-4631280-A Pyridazine derivatives having a psychotropic action, and medicaments in which they are present SANOFI (FR) 1986-12-23 US disclosed
US-4565814-A Pyridazine derivatives having a psychotropic action and compositions SANOFI (FR) 1986-01-21 US disclosed
US-4404203-A AND 6-PHENYL-4,5-DIHYDRO-3/2H/-PYRIDAZINONES WARNER-LAMBERT COMPANY (US) 1983-09-13 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-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 TP53 2421/4885CASP1 477/4885CHEK1 4545/4885

“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.