SCHEMBL23601567

SCHEMBL23601567

CN(c1cccc(-c2cccc(F)c2)c1)c1nc2nncn2c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.51
DHODH Q02127 1/20 0.40
PDE5A O76074 2/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
HCRTR1 O43613 1/20 0.36
KDM4E B2RXH2 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 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
SCHEMBL29909289 1.00 ABCG2 (0.51) ABCG2DHODHPDE5AALDH1A1MAPK1
SCHEMBL23577419 0.93 ABCG2 (0.52) ABCG2PDE5AHCRTR1SMN1; SMN2
SCHEMBL31229721 0.93 ABCG2 (0.52) ABCG2PDE5AHCRTR1SMN1; SMN2
SCHEMBL29909029 0.93 ABCG2 (0.45) ABCG2DHODHPDE5AALDH1A1MAPK1
SCHEMBL23576621 0.93 ABCG2 (0.45) ABCG2DHODHPDE5AALDH1A1MAPK1
SCHEMBL23578033 0.91 PDE5A (0.44) ABCG2DHODHPDE5AALDH1A1MAPK1
SCHEMBL29909329 0.88 ABCG2 (0.47) ABCG2DHODHPDE5AALDH1A1KDM4E
SCHEMBL23577176 0.88 ABCG2 (0.47) ABCG2DHODHPDE5AALDH1A1KDM4E
SCHEMBL23576805 0.87 ABCG2 (0.42) ABCG2DHODHPDE5AALDH1A1MAPK1
SCHEMBL29909532 0.87 ABCG2 (0.42) ABCG2DHODHPDE5AALDH1A1MAPK1

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 ABCG2 4216/4885DHODH 1705/4885PDE5A 1924/4885

“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.