SCHEMBL10276472

SCHEMBL10276472

COc1ccc(N2C(C)=C(c3ccc(F)cc3F)C3=NCC(=O)N32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMM2 O15305 2/20 0.39
MIF P14174 2/20 0.39
MPI P34949 2/20 0.39
PHOSPHO1 Q8TCT1 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
KMT2A Q03164 3/20 0.37
DPP4 P27487 1/20 0.36
MEN1 O00255 2/20 0.35
HTR7 P34969 1/20 0.35
GFER P55789 1/20 0.35
MAPK14 Q16539 2/20 0.35
MAOB P27338 1/20 0.34
MAPK1 P28482 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
POLB P06746 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34

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
SCHEMBL10276045 0.64 APP (0.35) NPC1RAB9AKMT2AMEN1MAPK14
SCHEMBL10275560 0.64 PDE4A (0.47) PMM2MIFMPIPHOSPHO1NPC1
SCHEMBL6068558 0.63 CYP2C19 (0.55) NPC1RAB9AMAPK14
SCHEMBL10275232 0.62 PMM2 (0.37) PMM2MIFMPIPHOSPHO1NPC1
SCHEMBL10275559 0.61 PMM2 (0.38) PMM2MIFMPIPHOSPHO1NPC1
SCHEMBL549169 0.60 POLB (0.51) PMM2MIFMPIPHOSPHO1MAPK14
SCHEMBL30908761 0.59 GABRA1 (0.56)
SCHEMBL30941206 0.58 PDE4A (0.41) MAPK14PDE4APDE4BPDE4CPDE4D
SCHEMBL20702773 0.58 CA12 (0.42) KMT2AMEN1HTR7GFERPOLB
SCHEMBL22443378 0.58 NPC1 (0.48) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 PMM2 1860/4885MIF 4872/4885MPI 830/4885

“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.