SCHEMBL10324428

SCHEMBL10324428

Nc1cc(C(=O)N[C@@H](Cc2cccc(F)c2)CN2C(=O)c3ccccc3C2=O)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.46
AKT1 P31749 2/20 0.42
AKT2 P31751 2/20 0.42
AKT3 Q9Y243 2/20 0.42
ROCK1 Q13464 2/20 0.42
CIT O14578 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKCB P05771 1/20 0.42
PRKCA P17252 1/20 0.42
PRKACA P17612 1/20 0.42
PRKACB P22694 1/20 0.42
PKN1 Q16512 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
DGAT2 Q96PD7 1/20 0.41
MAPT P10636 1/20 0.40
CACNA1G O43497 2/20 0.40
LMNA P02545 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL10447826 0.89 PIN1 (0.46) PIN1AKT1AKT2AKT3ROCK1
SCHEMBL10324553 0.83 ROCK1 (0.52) PIN1AKT1AKT2AKT3ROCK1
SCHEMBL2636369 0.80 PIN1 (0.43) PIN1
SCHEMBL10324429 0.78 CA1 (0.42) PIN1AKT1AKT2AKT3ROCK1
SCHEMBL1572750 0.76 AKT1 (0.48) PIN1AKT1AKT2AKT3ROCK1
SCHEMBL1572092 0.76 AKT1 (0.48) PIN1AKT1AKT2AKT3ROCK1
SCHEMBL3329879 0.76 MAPK1 (0.43) PIN1AKT1AKT2AKT3ROCK1
SCHEMBL1572737 0.75 AKT1 (0.43) PIN1AKT1AKT2AKT3ROCK1
SCHEMBL10323617 0.75 CTSS (0.47) PIN1AKT1AKT2AKT3ROCK1
SCHEMBL10323615 0.75 CTSS (0.47) PIN1AKT1AKT2AKT3ROCK1

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
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 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-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD PIN1 1593/4885AKT1 3908/4885AKT2 3670/4885

“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.