SCHEMBL4281460

SCHEMBL4281460

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.34
IDO1 P14902 2/20 0.33
SLC6A4 P31645 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HTR2B P41595 1/20 0.32
PDE4D Q08499 1/20 0.32
NOTUM Q6P988 6/20 0.32
AR P10275 1/20 0.31
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
KDR P35968 1/20 0.30
PDK2 Q15119 1/20 0.30
JAK2 O60674 1/20 0.30
NPFFR1 Q9GZQ6 1/20 0.30
NPFFR2 Q9Y5X5 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 0.86 HTR2B (0.38) IDO1HTR2BPDE4DHTR3EHTR3B
SCHEMBL4285201 0.81 HTR2B (0.35) IDO1HTR2BPDE4D
SCHEMBL4285066 0.78 DYRK3 (0.35) SLC6A3AR
SCHEMBL4284234 0.75 AGPAT2 (0.34) SLC6A4HTR2B
SCHEMBL4281458 0.74 TMPRSS4 (0.34) TMPRSS4IDO1SLC6A4SLC6A2SLC6A3
SCHEMBL4285023 0.74 SCN2A (0.33)
SCHEMBL4291037 0.70 AGPAT2 (0.44) IDO1JAK2
SCHEMBL4282211 0.69 HTR6 (0.32)
SCHEMBL4278355 0.68 AGPAT2 (0.46)
SCHEMBL4287050 0.68 AGPAT2 (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 1349/4885IDO1 1564/4885SLC6A4 2808/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT TMPRSS4 1285/4885IDO1 1550/4885SLC6A4 2939/4885

“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.