SCHEMBL20680243

SCHEMBL20680243

Cc1cc(Br)cc2c(Nc3ccc(F)c(Cl)c3)ncnc12

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD38 P28907 3/20 0.63
EGFR P00533 14/20 0.58
KDR P35968 3/20 0.54
AURKA O14965 2/20 0.54
FBP1 P09467 2/20 0.54
ERBB2 P04626 2/20 0.54
INSR P06213 1/20 0.54
PDGFRB P09619 1/20 0.54
FLT4 P35916 1/20 0.54
CLK1 P49759 1/20 0.54
EPHB4 P54760 1/20 0.54
TEK Q02763 1/20 0.54
AURKB Q96GD4 1/20 0.54
RPS6KB1 P23443 1/20 0.53
GRM1 Q13255 1/20 0.52

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
SCHEMBL20680203 0.86 EGFR (0.67) CD38EGFRKDRAURKAFBP1
SCHEMBL20680404 0.83 EGFR (0.52) CD38EGFRKDRAURKAFBP1
SCHEMBL6188729 0.80 EGFR (0.77) CD38EGFRKDRAURKAFBP1
Hydrochloric Acid SCHEMBL6190330 0.79 EGFR (0.75) CD38EGFRKDRAURKAFBP1
SCHEMBL20680261 0.78 CD38 (1.00) CD38EGFRERBB2GRM1
SCHEMBL12788058 0.78 EGFR (0.72) EGFRKDRAURKAFBP1ERBB2
SCHEMBL19762918 0.78 EGFR (0.69) CD38EGFRKDRAURKAFBP1
SCHEMBL28119911 0.77 EGFR (0.70) EGFRKDRAURKAFBP1ERBB2
Hydrochloric Acid SCHEMBL7486055 0.76 EGFR (0.69) EGFRKDRAURKAFBP1ERBB2
SCHEMBL8213640 0.74 EGFR (0.85) EGFRKDRAURKAFBP1ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087290-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES ENCEFA (FR) 2021-03-25 US disclosed
EP-3658586-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES ENCEFA (FR) 2020-06-03 EP disclosed
CN-111108127-A Compounds that specifically bind CD38 for use in the treatment of neurodegenerative and inflammatory diseases ENCEFA公司 2020-05-05 CN disclosed
WO-2019020643-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES ENCEFA (FR) 2019-01-31 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-20210087290-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES CD38, TRPC1, TRPC4 CD38 1/4885EGFR 4562/4885KDR 3308/4885

“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.