SCHEMBL4286563

SCHEMBL4286563

NC1=NC(N)(c2ccc(F)cc2)C=CN1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.35
NFE2L2 Q16236 1/20 0.34
METAP1 P53582 2/20 0.32
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
BACE1 P56817 3/20 0.31
GSK3B P49841 2/20 0.31
NPY5R Q15761 1/20 0.30
KDR P35968 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
SCHEMBL2846013 0.84 BACE1 (0.42) MAOBMAOABACE1
SCHEMBL4292713 0.83 TAAR1 (0.35)
SCHEMBL4286923 0.79 TRPA1 (0.40) METAP1MAOBMAOABACE1
SCHEMBL4277589 0.72 LMNA (0.42)
SCHEMBL4286812 0.70 MAPT (0.46) MAOBMAOA
SCHEMBL886366 0.69 MAPT (0.42)
SCHEMBL3534800 0.63
SCHEMBL2324400 0.60 NPY5R (0.44) NFE2L2NPY5R
SCHEMBL2168061 0.56
SCHEMBL30285815 0.56 MAOB (0.32) MAOBMAOANPY5R

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 GRM4 4223/4885NFE2L2 4702/4885METAP1 649/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT GRM4 4101/4885NFE2L2 4683/4885METAP1 631/4885

“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.