SCHEMBL26397329

SCHEMBL26397329

CSN(C)c1c(Nc2nc(NCc3cccc(C(=O)N4CCN(C)CC4)c3)ncc2Br)ccc2nccnc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 9/20 0.48
▸ IGF1R P08069 3/20 0.47
▸ JAK3 P52333 2/20 0.43
▸ CCNT1 O60563 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ PTK2 Q05397 1/20 0.41
▸ EGFR P00533 4/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ NTRK3 Q16288 1/20 0.39
▸ NTRK2 Q16620 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
SCHEMBL26384116 0.90 IGF1R (0.56) NTRK1IGF1RJAK3CCNT1CCNE1
SCHEMBL26397057 0.87 EGFR (0.47) NTRK1IGF1RJAK3CDK2PTK2
SCHEMBL26397384 0.86 EGFR (0.46) EGFRJAK2
SCHEMBL26383818 0.86 EGFR (0.46) EGFRJAK2
SCHEMBL26395904 0.84 LRRK2 (0.56) EGFRJAK2
SCHEMBL26384130 0.83 EGFR (0.51) EGFRJAK2
SCHEMBL26379137 0.80 IGF1R (0.55) NTRK1IGF1RJAK3CCNT1CCNE1
SCHEMBL26384176 0.80 EGFR (0.49) NTRK1IGF1RJAK3EGFRJAK2
SCHEMBL26383894 0.79 IGF1R (0.40) IGF1REGFR
SCHEMBL26384067 0.78 EGFR (0.59) NTRK1JAK3EGFRJAK2NTRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 — — US 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-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 NTRK1 195/4885IGF1R 73/4885JAK3 115/4885

“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.

Send feedback