SCHEMBL20680445

SCHEMBL20680445

Cc1cc(Br)cc2c(Nc3ccc(F)c(Cl)c3)nc(=O)[nH]c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.67
EGFR P00533 7/20 0.47
KDR P35968 5/20 0.47
ABCG2 Q9UNQ0 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.42
IDO1 P14902 2/20 0.42
APP P05067 1/20 0.41
BRAF P15056 1/20 0.41
ERBB2 P04626 1/20 0.41
GRM4 Q14833 1/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
TDO2 P48775 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL20680369 0.80 CD38 (1.00) CD38EGFRKDRABCG2ERBB2
SCHEMBL20680404 0.78 EGFR (0.52) CD38EGFRKDRABCG2RAPGEF4
SCHEMBL20680243 0.74 CD38 (0.63) CD38EGFRKDRERBB2
SCHEMBL14474390 0.70 ABCG2 (0.51) CD38EGFRKDRABCG2MEN1
SCHEMBL12813342 0.66 STK17A (0.57) EGFRKDRRAPGEF4IDO1APP
SCHEMBL6188729 0.65 EGFR (0.77) CD38EGFRKDRERBB2MEN1
SCHEMBL20680203 0.65 EGFR (0.67) CD38EGFRKDRBRAFERBB2
Hydrochloric Acid SCHEMBL6190330 0.65 EGFR (0.75) CD38EGFRKDRERBB2MEN1
SCHEMBL20273349 0.64 CSNK2A1 (0.44) CD38EGFRKDRABCG2IDO1
SCHEMBL20680392 0.64 MAPT (0.46) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA

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 3 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
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.