SCHEMBL10323931

SCHEMBL10323931

COC(=O)CC(=O)Nc1cc(C(=O)NCc2ccccc2)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.63
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
ALDH1A1 P00352 4/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
MAPT P10636 2/20 0.56
CYP2D6 P10635 1/20 0.56
HTT P42858 1/20 0.56
PPARG P37231 2/20 0.56
KDM4E B2RXH2 1/20 0.54
DYRK1A Q13627 1/20 0.54
DYRK1B Q9Y463 1/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HPGD P15428 1/20 0.53
UBE2N P61088 1/20 0.53
MEN1 O00255 3/20 0.52

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
SCHEMBL11297711 0.89 NPC1 (0.80) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL10322358 0.88 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL10323933 0.80 CYP1A2 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL10324159 0.80 CYP1A2 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL10323407 0.79 ROCK2 (0.48) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL27920895 0.77 EPHX2 (0.80) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL24254494 0.76 EPHX2 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL11297708 0.75 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL6568416 0.74 PPARG (0.65) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5881280 0.74 KDM4E (0.53) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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
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 165/4885NPC1 1780/4885RAB9A 2086/4885

“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.