SCHEMBL4282266

SCHEMBL4282266

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.38
TRPA1 O75762 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
STK10 O94804 1/20 0.34
SLK Q9H2G2 1/20 0.34
LMNA P02545 1/20 0.33
USP1 O94782 2/20 0.32
WDR48 Q8TAF3 2/20 0.32
PDK2 Q15119 1/20 0.32
P2RX7 Q99572 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31
HSD11B2 P80365 1/20 0.31
GPBAR1 Q8TDU6 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
SCHEMBL4280084 0.78 CYP1A2 (0.35) HSD11B1LMNAL3MBTL1BACE1
SCHEMBL4284234 0.76 AGPAT2 (0.34) L3MBTL1
SCHEMBL4282261 0.72 HSD11B1 (0.39) HSD11B1TRPA1TRPM8TRPV1STK10
SCHEMBL4287050 0.72 AGPAT2 (0.33)
SCHEMBL4282527 0.69 HSP90AA1 (0.34) LMNA
SCHEMBL4278355 0.66 AGPAT2 (0.46)
SCHEMBL4285066 0.63 DYRK3 (0.35) L3MBTL1
SCHEMBL2447801 0.60 BACE1 (0.47) HSD11B1TRPA1TRPM8TRPV1ACHE
SCHEMBL2448730 0.59 ACP1 (0.44) HSD11B1TRPA1TRPM8TRPV1ACHE
SCHEMBL30921795 0.58 HDAC4 (0.35) PDK2L3MBTL1BACE1

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 3786/4885TRPA1 4147/4885TRPM8 3613/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT HSD11B1 3125/4885TRPA1 3724/4885TRPM8 3397/4885

“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.