SCHEMBL4282527

SCHEMBL4282527

COc1ccc(C)c(C2=CC(N)(c3ccc(Cl)cc3)NC(N)=N2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
ALOX12 P18054 3/20 0.34
LMNA P02545 2/20 0.34
ALOX15 P16050 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PGR P06401 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
NPSR1 Q6W5P4 3/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4287050 0.86 AGPAT2 (0.33) GAAHPGDHSD17B10MAPTKDM4E
SCHEMBL4291037 0.82 AGPAT2 (0.44) PGRCYP3A4
SCHEMBL4280064 0.76 HTR2B (0.38) HSP90AA1HSP90AB1TP53GAAKDM4E
SCHEMBL4282525 0.75 ALOX12 (0.35) HSP90AA1HSP90AB1ALOX12LMNAALOX15
SCHEMBL4278355 0.75 AGPAT2 (0.46) GAAHPGDHSD17B10NPSR1KDM4E
SCHEMBL14358976 0.73 TDP1 (0.36) LMNAHPGDMAPK1MAPTKDM4E
SCHEMBL18557563 0.66 MEN1 (0.49) ALOX12LMNAALOX15TP53GAA
SCHEMBL4281460 0.64 TMPRSS4 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL13880245 0.62 AGPAT2 (0.79) GAAMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL4288458 0.61 HSP90AA1 (0.76) HSP90AA1HSP90AB1GAAMAPTKDM4E

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
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US claimed
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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 (2 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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT HSP90AA1 4126/4885HSP90AB1 4236/4885ALOX12 519/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT HSP90AA1 4006/4885HSP90AB1 3829/4885ALOX12 506/4885

“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.