SCHEMBL21541817

SCHEMBL21541817

CC(C)N1[C@H](C)CN(C(=O)Cl)C[C@@H]1C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 2/20 0.31
LIPE Q05469 1/20 0.31

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
SCHEMBL21541820 1.00 SMN1; SMN2 (0.34) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL19698027 0.81 CHRNB2 (0.43) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL28553237 0.80 CHRNB2 (0.33) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL27380895 0.79 CHRNB2 (0.52) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL21846683 0.79 CHRNB2 (0.52) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL21846686 0.78 SMN1; SMN2 (0.39) SMN1; SMN2CHRNB2CHRNA4MEN1KMT2A
SCHEMBL19701969 0.76 HRH3 (0.34) SMN1; SMN2HRH3
SCHEMBL19701968 0.76 SMN1; SMN2 (0.40) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL19701967 0.76 TSHR (0.48) SMN1; SMN2CHRNB2CHRNA3CHRNA4ALDH1A1
SCHEMBL21846691 0.75 SMN1; SMN2 (0.44) SMN1; SMN2MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3567041-B1 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF IMPACT THERAPEUTICS SHANGHAI INC (CN) 2023-12-27 EP disclosed
CN-110167941-B Substituted fused heteroaryl compounds as kinase inhibitors and uses thereof 上海瑛派药业有限公司 2023-04-04 CN disclosed
EP-3567041-A9 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-04-20 EP disclosed
US-10874670-B2 Substituted fused heteroaromatic compounds as kinase inhibitors and the use thereof IMPACT THERAPEUTICS, INC. (CN) 2020-12-29 US disclosed
EP-3567041-A1 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF Impact Therapeutics, Inc (CN) 2019-11-13 EP 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-10874670-B2 Substituted fused heteroaromatic compounds as kinase inhibitors and the use thereof CHEK1, CHEK2, CDK1 SMN1; SMN2 3616/4885CHRNB2 4322/4885CHRNA3 4412/4885

“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.