SCHEMBL4592999

SCHEMBL4592999

O=C(O)N(c1ccncn1)c1ccncn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
HSP90AA1 P07900 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
FAAH O00519 1/20 0.36
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM4E B2RXH2 2/20 0.34
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 2/20 0.34

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
SCHEMBL3718482 0.87 NPSR1 (0.44) P2RX7TNKSPARP1TNKS2KMT2A
SCHEMBL14968785 0.82 P2RX7 (0.39) P2RX7HSP90AA1NAPRTFAAHTNKS
SCHEMBL27892859 0.80 P2RX7 (0.42) P2RX7HSP90AA1NAPRTFAAHKMT2A
SCHEMBL26616179 0.79 TNKS (0.31) P2RX7TNKSPARP1TNKS2
SCHEMBL8946381 0.77 NPSR1 (0.41) P2RX7HSP90AA1TNKSPARP1TNKS2
SCHEMBL11114646 0.76 P2RX7 (0.39) P2RX7HSP90AA1NAPRTTNKSPARP1
SCHEMBL27616306 0.73 NPSR1 (0.38) TNKSPARP1TNKS2KMT2AMEN1
SCHEMBL935444 0.72 HTT (0.54) NAPRTKMT2AMEN1KDM4EALDH1A1
SCHEMBL13627914 0.72 P2RX7 (0.38) P2RX7HSP90AA1FAAHTNKSPARP1
SCHEMBL25420409 0.71 MAPT (0.46) TNKSPARP1TNKS2KMT2AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255161-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2008-10-16 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 (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-20080255161-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 P2RX7 4759/4885HSP90AA1 2229/4885NAPRT 1491/4885

“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.