SCHEMBL10322358

SCHEMBL10322358

COC(=O)CC(=O)Nc1cc(C(=O)NCc2cccc(F)c2)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.48
MAPT P10636 2/20 0.48
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 3/20 0.47
NAMPT P43490 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.47
DYRK1A Q13627 1/20 0.46
DYRK1B Q9Y463 1/20 0.46

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
SCHEMBL10323931 0.88 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL10323503 0.84 PPARG (0.49) MAPTKDM4ETP53EPHX2
SCHEMBL10323407 0.83 ROCK2 (0.48) SMN1; SMN2RAB9ANPC1POLBHPGD
SCHEMBL11297711 0.80 NPC1 (0.80) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL11495172 0.78 CTSS (0.43) SMN1; SMN2RAB9ANPC1POLBHPGD
SCHEMBL10322825 0.78 CTSS (0.43) SMN1; SMN2RAB9ANPC1POLBHPGD
SCHEMBL11949629 0.77 PIN1 (0.40) SMN1; SMN2RAB9ANPC1POLBHPGD
SCHEMBL10322599 0.76 KDM4E (0.53) SMN1; SMN2POLBHPGDMAPTROCK2
SCHEMBL11305979 0.75 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL10322597 0.74 PPARG (0.56) HPGDROCK2LMNANAMPTTP53

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 5 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
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 SMN1; SMN2 165/4885RAB9A 2086/4885NPC1 1780/4885

“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.