SCHEMBL4286118

SCHEMBL4286118

CCOc1ccc(Br)cc1-c1cc(Cl)ncn1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 13/20 0.49
DHFR P00374 1/20 0.42
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.40
FBP1 P09467 1/20 0.38
MEN1 O00255 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
ERBB4 Q15303 1/20 0.38

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
SCHEMBL4428832 0.83 CDK9 (0.40) AGPAT2FBP1EGFRERBB2
SCHEMBL2988060 0.81 CLK4 (0.43) TSHRHPGDEGFR
SCHEMBL4282695 0.80 AGPAT2 (0.67) AGPAT2DHFR
SCHEMBL4281823 0.79 AGPAT2 (0.72) AGPAT2
SCHEMBL4288289 0.78 AGPAT2 (0.61) AGPAT2TSHR
SCHEMBL15486181 0.74 EGFR (0.38) TSHRFBP1EGFRERBB2
SCHEMBL29475115 0.74 CLK4 (0.39) AGPAT2TSHRKMT2AHPGDMEN1
SCHEMBL21175319 0.74 CLK4 (0.39) AGPAT2TSHRKMT2AHPGDMEN1
SCHEMBL4280067 0.74 CYP1A2 (0.58) AGPAT2KMT2AHPGDMEN1EGFR
SCHEMBL4290421 0.71 AGPAT2 (0.54) AGPAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 100/4885DHFR 96/4885TSHR 4049/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT AGPAT2 94/4885DHFR 133/4885TSHR 4067/4885

“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.