SCHEMBL4291037

SCHEMBL4291037

Cc1ccc(Cl)cc1C1=CC(N)(c2ccc(Br)cc2)NC(N)=N1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 10/20 0.44
IDO1 P14902 1/20 0.33
JAK2 O60674 2/20 0.33
PGR P06401 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAP4K4 O95819 1/20 0.32

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
SCHEMBL4285201 0.88 HTR2B (0.35) AGPAT2IDO1
SCHEMBL4287050 0.86 AGPAT2 (0.33) AGPAT2CYP3A4
SCHEMBL4282151 0.85 AGPAT2 (0.33) AGPAT2JAK2
SCHEMBL4278355 0.85 AGPAT2 (0.46) AGPAT2
SCHEMBL4282211 0.82 HTR6 (0.32)
SCHEMBL4282527 0.82 HSP90AA1 (0.34) PGRCYP3A4
SCHEMBL4280064 0.80 HTR2B (0.38) AGPAT2IDO1JAK2
SCHEMBL4282572 0.76 AGPAT2 (0.41) AGPAT2
SCHEMBL4291033 0.74 AGPAT2 (0.43) AGPAT2IDO1JAK2CYP3A4MAP4K4
SCHEMBL4281460 0.70 TMPRSS4 (0.34) IDO1JAK2

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 100/4885IDO1 1564/4885JAK2 2740/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT AGPAT2 94/4885IDO1 1550/4885JAK2 2827/4885

“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.