SCHEMBL30961027

SCHEMBL30961027

CCN(c1ccccc1)c1nc(NN)nc2cc(Br)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
KMT2A Q03164 2/20 0.43
AGTR1 P30556 1/20 0.39
EGFR P00533 2/20 0.38
CSF1R P07333 2/20 0.38
DHFR P00374 2/20 0.37
ADRB2 P07550 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.34
ADRA2A P08913 1/20 0.34
MCHR1 Q99705 1/20 0.34
APP P05067 1/20 0.34
HCN1 O60741 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
HCN4 Q9Y3Q4 1/20 0.34
RXFP1 Q9HBX9 1/20 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
SCHEMBL23577214 1.00 GAA (0.43) GAAKMT2AAGTR1EGFRCSF1R
SCHEMBL23601686 0.86 MEN1 (0.48) GAAKMT2AEGFRCSF1RDHFR
SCHEMBL30961078 0.84 GAA (0.45) GAAKMT2AAGTR1EGFR
SCHEMBL23576998 0.84 GAA (0.45) GAAKMT2AAGTR1EGFR
SCHEMBL23577455 0.83 GAA (0.40) GAAKMT2AEGFRMAPTADRA2A
SCHEMBL29909619 0.83 GAA (0.40) GAAKMT2AEGFRMAPTADRA2A
SCHEMBL23576846 0.82 EGFR (0.41) GAAKMT2AEGFRCSF1RDHFR
SCHEMBL30013703 0.82 EGFR (0.41) GAAKMT2AEGFRCSF1RDHFR
SCHEMBL30961063 0.81 RXFP1 (0.40) EGFRCSF1REGLN1MAPTCYP1A2
SCHEMBL23576711 0.81 RXFP1 (0.40) EGFRCSF1REGLN1MAPTCYP1A2

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-12054490-B2 Diacylglycerol kinase modulating compounds GILEAD SCIENCES, INC. (US) 2024-08-06 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-12054490-B2 Diacylglycerol kinase modulating compounds DGKG, DGKB, DGKK GAA 2227/4885KMT2A 2566/4885AGTR1 4109/4885

“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.