SCHEMBL4285052

SCHEMBL4285052

Cc1ccc(Br)cc1-c1cc(Nc2ccc(C#N)cc2)nc(N)n1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 19/20 0.80
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
PABPC1 P11940 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL13880254 0.89 AGPAT2 (1.00) AGPAT2MEN1NPC1MAPTPABPC1
SCHEMBL4282006 0.87 AGPAT2 (0.79) AGPAT2NPC1RAB9A
SCHEMBL4277659 0.87 AGPAT2 (0.80) AGPAT2
SCHEMBL13880246 0.84 AGPAT2 (1.00) AGPAT2NPC1RAB9A
SCHEMBL13880252 0.81 AGPAT2 (0.80) AGPAT2MEN1NPC1MAPTPABPC1
SCHEMBL4286972 0.81 AGPAT2 (0.80) AGPAT2
SCHEMBL13880176 0.81 AGPAT2 (1.00) AGPAT2MEN1NPC1MAPTPABPC1
SCHEMBL4282257 0.80 AGPAT2 (0.76) AGPAT2
SCHEMBL13880256 0.80 AGPAT2 (0.76) AGPAT2
SCHEMBL4278303 0.77 AGPAT2 (0.71) AGPAT2

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 8 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-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
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-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 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 AGPAT2 100/4885MEN1 3158/4885NPC1 1406/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT AGPAT2 94/4885MEN1 3425/4885NPC1 1299/4885

“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.