SCHEMBL4287536

SCHEMBL4287536

NC1=NC(N)(c2ccc(C(F)(F)F)nc2)C=CN1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.37
KCNH2 Q12809 2/20 0.32
PIK3CA P42336 2/20 0.32
PI4KB Q9UBF8 2/20 0.32
MAP4K4 O95819 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PI4KA P42356 1/20 0.31
PIK3CG P48736 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
SCHEMBL4278345 0.80 MAOA (0.37)
SCHEMBL2846013 0.72 BACE1 (0.42)
SCHEMBL16015096 0.71 TRPV4 (0.39) TRPV4KCNH2PIK3CAPI4KBMAP4K4
SCHEMBL4292713 0.71 TAAR1 (0.35)
SCHEMBL4287540 0.69 TRPV4 (0.37) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL4290426 0.69 HDAC4 (0.38)
SCHEMBL886131 0.68 KCNQ2 (0.31) KCNH2
SCHEMBL22085528 0.67 TRPV4 (0.47) TRPV4
SCHEMBL4286812 0.66 MAPT (0.46)
SCHEMBL884864 0.64 PDK2 (0.41)

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 TRPV4 4456/4885KCNH2 4578/4885PIK3CA 446/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT TRPV4 4319/4885KCNH2 4560/4885PIK3CA 352/4885

“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.