SCHEMBL4285201

SCHEMBL4285201

NC1=NC(c2cc(Cl)ccc2Cl)=CC(N)(c2ccc(Br)cc2)N1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.35
PDE4D Q08499 1/20 0.35
AGPAT2 O15120 5/20 0.33
IDO1 P14902 1/20 0.31
ALDH1A1 P00352 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL4280064 0.92 HTR2B (0.38) HTR2BPDE4DAGPAT2IDO1ALDH1A1
SCHEMBL4291037 0.88 AGPAT2 (0.44) AGPAT2IDO1
SCHEMBL4282211 0.87 HTR6 (0.32)
SCHEMBL4278355 0.85 AGPAT2 (0.46) AGPAT2ALDH1A1RXFP1
SCHEMBL4282151 0.85 AGPAT2 (0.33) AGPAT2
SCHEMBL4281460 0.81 TMPRSS4 (0.34) HTR2BPDE4DIDO1
SCHEMBL4285023 0.80 SCN2A (0.33)
SCHEMBL4285066 0.80 DYRK3 (0.35) ALDH1A1
SCHEMBL4282572 0.75 AGPAT2 (0.41) AGPAT2ALDH1A1RXFP1
SCHEMBL4287050 0.73 AGPAT2 (0.33) AGPAT2ALDH1A1

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 HTR2B 4202/4885PDE4D 1418/4885AGPAT2 100/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT HTR2B 3743/4885PDE4D 1132/4885AGPAT2 94/4885

“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.