SCHEMBL20680404

SCHEMBL20680404

Cc1cc(Br)cc2c(Nc3ccc(F)c(Cl)c3)nc(Cl)nc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.52
KDR P35968 5/20 0.52
APP P05067 2/20 0.49
CD38 P28907 2/20 0.45
RAPGEF4 Q8WZA2 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
GRM4 Q14833 1/20 0.43
ERBB2 P04626 2/20 0.42
IDO1 P14902 1/20 0.41
AURKA O14965 1/20 0.41
INSR P06213 1/20 0.41
FBP1 P09467 1/20 0.41
PDGFRB P09619 1/20 0.41
FLT4 P35916 1/20 0.41
CLK1 P49759 1/20 0.41
EPHB4 P54760 1/20 0.41
TEK Q02763 1/20 0.41
AURKB Q96GD4 1/20 0.41
STK17A Q9UEE5 1/20 0.40

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
SCHEMBL20680243 0.83 CD38 (0.63) EGFRKDRCD38ERBB2AURKA
SCHEMBL14474390 0.81 ABCG2 (0.51) EGFRKDRCD38ABCG2
SCHEMBL20680445 0.78 CD38 (0.67) EGFRKDRAPPCD38RAPGEF4
SCHEMBL6360244 0.74 APP (0.51) EGFRKDRAPPRAPGEF4ABCG2
SCHEMBL12813342 0.73 STK17A (0.57) EGFRKDRAPPRAPGEF4GRM4
SCHEMBL20680203 0.72 EGFR (0.67) EGFRKDRCD38ERBB2AURKA
SCHEMBL8488129 0.71 EGFR (0.56) EGFRKDRAPPCD38GRM4
SCHEMBL14474900 0.70 ABCG2 (0.49) EGFRKDRAPPCD38RAPGEF4
SCHEMBL14474748 0.70 ABCG2 (0.53) EGFRKDRCD38ABCG2
SCHEMBL17212371 0.70 ABCG2 (0.53) ABCG2GRM4

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 EGFR 4562/4885KDR 3308/4885APP 264/4885

“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.