SCHEMBL29633427

SCHEMBL29633427

N#CCC(=O)c1ncccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.45
WNT3A P56704 1/20 0.45
MAPT P10636 4/20 0.41
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
AGER Q15109 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRM4 Q14833 1/20 0.37
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL24410316 1.00 CTNNB1 (0.45) CTNNB1WNT3AMAPTALDH1A1KDM4E
SCHEMBL20819374 0.79 CTNNB1 (0.49) CTNNB1WNT3AMAPTALDH1A1KDM4E
SCHEMBL2380013 0.77 CTNNB1 (0.48) CTNNB1WNT3AMAPTALDH1A1KDM4E
SCHEMBL9964038 0.77 CTNNB1 (0.48) CTNNB1WNT3AMAPTALDH1A1KDM4E
SCHEMBL948485 0.77 LMNA (0.56) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL31749123 0.76 CTSA (0.42) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL30131385 0.76 EGLN1 (0.52) ALDH1A1MEN1KMT2APOLBGRM4
Hydrochloric Acid SCHEMBL6110118 0.76 CTNNB1 (0.47) CTNNB1WNT3AMAPTALDH1A1KDM4E
Bromide SCHEMBL6111604 0.76 CTNNB1 (0.47) CTNNB1WNT3AMAPTALDH1A1KDM4E
SCHEMBL15988841 0.75 CTNNB1 (0.56) CTNNB1WNT3AMAPTALDH1A1KDM4E

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-11970485-B2 RET kinase inhibitors ELI LILLY AND COMPANY (US) 2024-04-30 US disclosed
US-20230265085-A1 RET KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-08-24 US disclosed
US-11697647-B2 RET kinase inhibitors ELI LILLY AND COMPANY (US) 2023-07-11 US disclosed
US-20220144816-A1 RET KINASE INHIBITORS EVOTEC INTERNATIONAL GMBH (DE) 2022-05-12 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 (4 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-11970485-B2 RET kinase inhibitors RET, BRAF, GFRA1 CTNNB1 3442/4885WNT3A 2791/4885MAPT 2324/4885
US-11697647-B2 RET kinase inhibitors RET, BRAF, GFRA1 CTNNB1 3442/4885WNT3A 2791/4885MAPT 2324/4885
US-20230265085-A1 RET KINASE INHIBITORS RET, BRAF, GFRA1 CTNNB1 3442/4885WNT3A 2791/4885MAPT 2324/4885
US-20220144816-A1 RET KINASE INHIBITORS RET, BRAF, GFRA1 CTNNB1 3442/4885WNT3A 2791/4885MAPT 2324/4885

“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.