SCHEMBL18909618

SCHEMBL18909618

CC1CCN(C(=O)/C=C/CN(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.43
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BTK Q06187 4/20 0.41
EGFR P00533 1/20 0.39
FGFR2 P21802 4/20 0.38
FGFR1 P11362 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
LMNA P02545 2/20 0.38
CDK4 P11802 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
GAA P10253 1/20 0.37
KDR P35968 1/20 0.36
LCK P06239 1/20 0.36
CDK14 O94921 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
SCHEMBL27451749 1.00 JAK3 (0.43) JAK3ALDH1A1NPC1HPGDRAB9A
SCHEMBL18904853 1.00 JAK3 (0.43) JAK3ALDH1A1NPC1HPGDRAB9A
SCHEMBL23547437 1.00 JAK3 (0.43) JAK3ALDH1A1NPC1HPGDRAB9A
SCHEMBL19353252 0.92 ALDH1A1 (0.51) JAK3ALDH1A1NPC1HPGDRAB9A
SCHEMBL10241495 0.92 ALDH1A1 (0.51) JAK3ALDH1A1NPC1HPGDRAB9A
SCHEMBL10283866 0.92 ALDH1A1 (0.51) JAK3ALDH1A1NPC1HPGDRAB9A
SCHEMBL27451704 0.92 ALDH1A1 (0.51) JAK3ALDH1A1NPC1HPGDRAB9A
SCHEMBL24348777 0.91 ALDH1A1 (0.47) JAK3ALDH1A1NPC1HPGDRAB9A
SCHEMBL462207 0.90 ALDH1A1 (0.44) JAK3ALDH1A1NPC1HPGDBTK
SCHEMBL18909668 0.88 CHRNB2 (0.38) JAK3ALDH1A1HPGDBTKEGFR

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
WO-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
EP-3426637-B1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE ANGEL PHARMACEUTICAL CO LTD (CN) 2022-02-09 EP disclosed
WO-2017156495-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE CORVUS PHARMACEUTICALS, INC. (US) 2017-09-14 WO disclosed
US-20170152264-A1 AMINOPYRIDAZINONE COMPOUNDS AS PROTEIN KINASE INHIBITORS Eternity Bioscience Inc. (US) 2017-06-01 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-20170152264-A1 AMINOPYRIDAZINONE COMPOUNDS AS PROTEIN KINASE INHIBITORS SSB, MAPKAPK5, BCL9 JAK3 447/4885ALDH1A1 3332/4885NPC1 4775/4885

“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.