SCHEMBL4287050

SCHEMBL4287050

Cc1ccc(C)c(C2=CC(N)(c3ccc(Cl)cc3)NC(N)=N2)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 4/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
CYP3A4 P08684 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL4282527 0.86 HSP90AA1 (0.34) KDM4EMAPTGAAHPGDHSD17B10
SCHEMBL4291037 0.86 AGPAT2 (0.44) AGPAT2CYP3A4
SCHEMBL4280064 0.80 HTR2B (0.38) AGPAT2KDM4EALDH1A1GAADRD4
SCHEMBL4280084 0.74 CYP1A2 (0.35) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL4287046 0.72 ALDH1A1 (0.33) AGPAT2KDM4EMAPTALDH1A1GAA
SCHEMBL4278355 0.71 AGPAT2 (0.46) AGPAT2KDM4EALDH1A1GAAHPGD
SCHEMBL4284234 0.70 AGPAT2 (0.34) AGPAT2KDM4EMAPTALDH1A1RECQL
SCHEMBL4281460 0.68 TMPRSS4 (0.34)
SCHEMBL4285066 0.66 DYRK3 (0.35) KDM4EMAPTALDH1A1CYP3A4CYP1A2
SCHEMBL5280419 0.62 AHR (0.42) MAPTALDH1A1HPGDHSD17B10CYP3A4

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 AGPAT2 100/4885KDM4E 1842/4885MAPT 3800/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT AGPAT2 94/4885KDM4E 2160/4885MAPT 3707/4885

“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.