SCHEMBL23601231

SCHEMBL23601231

CN(c1cccc(-c2ccc(C3(C#N)CC3)cc2)c1)c1nc2nncn2c2cc(Cl)ccc12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
PIK3C2A O00443 1/20 0.33
PIK3C2B O00750 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
MAP4K4 O95819 1/20 0.33
OPRM1 P35372 1/20 0.32
NR1H4 Q96RI1 7/20 0.32
MAT2A P31153 1/20 0.32
SRC P12931 1/20 0.31
HSD11B1 P28845 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
SCHEMBL31169411 1.00 ALDH1A1 (0.33) ALDH1A1HRH4PIK3C2APIK3C2BPIK3CA
SCHEMBL23576859 0.89 FNTA (0.33) HRH4FNTAFNTBMAT2A
SCHEMBL29909295 0.89 FNTA (0.33) HRH4FNTAFNTBMAT2A
SCHEMBL23601304 0.88 PIK3C2A (0.32) ALDH1A1PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL29909937 0.88 PIK3C2A (0.32) ALDH1A1PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL23601235 0.87 FNTA (0.40) ALDH1A1HRH4FNTAFNTBMAT2A
SCHEMBL29909768 0.87 FNTA (0.40) ALDH1A1HRH4FNTAFNTBMAT2A
SCHEMBL29909216 0.86 FNTA (0.32) HRH4FNTAFNTBMAP4K4
SCHEMBL23577231 0.86 FNTA (0.32) HRH4FNTAFNTBMAP4K4
SCHEMBL23578133 0.85 FNTA (0.33) FNTAFNTBMAT2AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 US disclosed
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 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-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK ALDH1A1 4095/4885HRH4 3793/4885PIK3C2A 71/4885

“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.