SCHEMBL4281458

SCHEMBL4281458

NC1=NC(N)(c2ccc(Cl)c(C(F)(F)F)c2)C=C(c2cc(Cl)ccc2Cl)N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.34
NOTUM Q6P988 4/20 0.33
IDO1 P14902 2/20 0.33
NPFFR1 Q9GZQ6 2/20 0.33
NPFFR2 Q9Y5X5 2/20 0.33
HTR2B P41595 1/20 0.33
PDE4D Q08499 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
KDR P35968 2/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL4280058 0.85 HTR2B (0.39) IDO1HTR2BPDE4DALDH1A1HTR3E
SCHEMBL4285195 0.81 HTR2B (0.35) IDO1HTR2BPDE4DALDH1A1
SCHEMBL4285060 0.78 DYRK3 (0.36) MEN1ALDH1A1KMT2ASLC6A3
SCHEMBL4282261 0.78 HSD11B1 (0.39)
SCHEMBL4284231 0.75 AGPAT2 (0.33) HTR2BMEN1ALDH1A1KMT2ASLC6A4
SCHEMBL4281460 0.74 TMPRSS4 (0.34) TMPRSS4NOTUMIDO1NPFFR1NPFFR2
SCHEMBL4285021 0.73 SCN2A (0.33) HTR2BALDH1A1
SCHEMBL4291033 0.71 AGPAT2 (0.43) IDO1
SCHEMBL4282568 0.69 ALDH1A1 (0.41) MEN1ALDH1A1KMT2A
SCHEMBL4282210 0.68 HTR6 (0.33)

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 TMPRSS4 1349/4885NOTUM 1424/4885IDO1 1564/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT TMPRSS4 1285/4885NOTUM 1385/4885IDO1 1550/4885

“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.