SCHEMBL4522286

SCHEMBL4522286

CC(=O)Nc1ccc(-c2ccc3nc(N)nc(OC(F)(F)CF)c3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
KDM4E B2RXH2 6/20 0.40
GAA P10253 2/20 0.40
PRNP P04156 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 4/20 0.39
RXFP1 Q9HBX9 2/20 0.39
XDH P47989 1/20 0.39
GHSR Q92847 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4522294 0.85 PIK3CA (0.44) KMT2AMEN1KDM4EGAAPRNP
SCHEMBL4522465 0.82 MEN1 (0.46) KMT2AMEN1KDM4EGAAPRNP
SCHEMBL4526217 0.82 KDM4E (0.40) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL4521804 0.80 KMT2A (0.43) KMT2AMEN1KDM4EGAAPRNP
SCHEMBL4521670 0.80 MEN1 (0.44) KMT2AMEN1KDM4EGAAPRNP
SCHEMBL4521666 0.78 KMT2A (0.42) KMT2AMEN1KDM4EGAAPRNP
SCHEMBL4526331 0.78 MEN1 (0.42) KMT2AMEN1KDM4EGAAPRNP
SCHEMBL4102279 0.75 KMT2A (0.44) KMT2AMEN1KDM4EGAAPRNP
Morpholine SCHEMBL4526766 0.74 MTOR (0.40) KMT2AMEN1KDM4EGAAPRNP
SCHEMBL823746 0.73 PDE4A (0.38) KMT2AMEN1KDM4EGAAPOLB

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-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
EP-1899332-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2008-03-19 EP disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 WO 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 (1 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO KMT2A 4257/4885MEN1 4755/4885KDM4E 3685/4885

“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.