SCHEMBL23601211

SCHEMBL23601211

Cc1cccc(N(C)c2nc(NN)nc3cc([N+](=O)[O-])ccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.50
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40
ACHE P22303 1/20 0.40
CSF1R P07333 3/20 0.39
EGFR P00533 2/20 0.38
ALDH1A1 P00352 4/20 0.38
NPBWR1 P48145 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
ADRA2A P08913 1/20 0.37
MCHR1 Q99705 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
SCHEMBL23601302 0.89 ABCG2 (0.54) ABCG2MAPTACHEEGFRADRA2A
SCHEMBL30013428 0.89 ABCG2 (0.49) ABCG2MAPTEGFRALDH1A1ADRA2A
SCHEMBL30013260 0.89 ABCG2 (0.49) ABCG2ACHEEGFRALDH1A1CDK1
SCHEMBL23577340 0.89 ABCG2 (0.49) ABCG2MAPTEGFRALDH1A1ADRA2A
SCHEMBL23576684 0.89 ABCG2 (0.49) ABCG2ACHEEGFRALDH1A1CDK1
SCHEMBL30013914 0.88 ABCG2 (0.59) ABCG2MAPTPOLBALDH1A1NPBWR1
SCHEMBL23577184 0.88 ABCG2 (0.59) ABCG2MAPTPOLBALDH1A1NPBWR1
SCHEMBL23601213 0.84 ABCG2 (0.53) ABCG2MAPTPOLBSMN1; SMN2NPC1
SCHEMBL23576951 0.81 ABCG2 (0.52) ABCG2MAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL30960996 0.81 ABCG2 (0.52) ABCG2MAPTPOLBSMN1; SMN2ALDH1A1

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 4216/4885MAPT 4206/4885POLB 3027/4885

“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.