SCHEMBL4282261

SCHEMBL4282261

NC1=NC(N)(c2ccc(Cl)cc2)C=C(c2ccccc2C(F)(F)F)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.39
USP1 O94782 3/20 0.35
WDR48 Q8TAF3 3/20 0.35
ACHE P22303 1/20 0.34
DPP4 P27487 1/20 0.34
TRPA1 O75762 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
STK10 O94804 1/20 0.32
SLK Q9H2G2 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 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
SCHEMBL4280081 0.79 CYP1A2 (0.37) DPP4L3MBTL1LMNABACE1
SCHEMBL4281458 0.78 TMPRSS4 (0.34)
SCHEMBL4282686 0.77 CYP1A2 (0.39) HSD11B1DPP4LMNA
SCHEMBL4280058 0.76 HTR2B (0.39) LMNABACE1
SCHEMBL4284231 0.75 AGPAT2 (0.33) L3MBTL1
SCHEMBL4285021 0.73 SCN2A (0.33) LMNABACE1
SCHEMBL4291033 0.68 AGPAT2 (0.43)
SCHEMBL4282568 0.67 ALDH1A1 (0.41) L3MBTL1LMNA
SCHEMBL4282210 0.66 HTR6 (0.33)
SCHEMBL4278353 0.65 AGPAT2 (0.47)

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 HSD11B1 3786/4885USP1 3519/4885WDR48 867/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT HSD11B1 3125/4885USP1 3199/4885WDR48 1127/4885

“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.