SCHEMBL4287540

SCHEMBL4287540

NC1=NC=CC(N)(c2ccc(C(F)(F)F)nc2)N1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.37
OPRL1 P41146 1/20 0.33
DHFR P00374 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PI4KA P42356 1/20 0.31
PIK3CG P48736 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
MTOR P42345 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
SCHEMBL4281846 0.71 DRD2 (0.33)
SCHEMBL2846014 0.71 BACE1 (0.37)
SCHEMBL4287536 0.69 TRPV4 (0.37) TRPV4PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL3990101 0.69 KDM4E (0.51)
SCHEMBL16015096 0.69 TRPV4 (0.39) TRPV4DHFRPIK3CDPIK3CAPIK3CB
SCHEMBL22085528 0.67 TRPV4 (0.47) TRPV4DHFR
SCHEMBL4277498 0.66 MAPT (0.46)
SCHEMBL4282740 0.64
SCHEMBL2911025 0.64 MAPT (0.40)
SCHEMBL18717564 0.62 P2RX7 (0.44) TRPV4

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 4456/4885OPRL1 3952/4885DHFR 96/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT TRPV4 4319/4885OPRL1 3962/4885DHFR 133/4885

“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.