SCHEMBL10323972

SCHEMBL10323972

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
PLA2G1B P04054 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
GAA P10253 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C19 P33261 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
ATG4B Q9Y4P1 1/20 0.68
MLYCD O95822 2/20 0.66
LMNA P02545 2/20 0.64
HPGD P15428 1/20 0.64
MAPK14 Q16539 1/20 0.60
TP53 P04637 1/20 0.57
RAB9A P51151 1/20 0.54
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.53

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
SCHEMBL10323971 0.86 LMNA (0.68) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL10322599 0.84 KDM4E (0.53) GAALMNAHPGDTP53MAPT
SCHEMBL10320310 0.84 NPC1 (0.57) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL23447721 0.83 MLYCD (0.77) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL5227678 0.83 MLYCD (0.86) MEN1KMT2APLA2G1BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL10324857 0.83 NPC1 (0.56) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL10318404 0.82 PPARG (0.64) MEN1KMT2ACYP2D6LMNAHPGD
SCHEMBL15682679 0.80 MLYCD (0.72) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL4495476 0.80 MLYCD (0.80) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL10389082 0.80 MEN1 (0.70) MEN1KMT2APLA2G1BCYP1A2CYP3A4

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 claimed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US claimed
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

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 MEN1 1193/4885KMT2A 2283/4885PLA2G1B 2128/4885

“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.