SCHEMBL18909668

SCHEMBL18909668

CC1CN(C(=O)/C=C/CN(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
JAK3 P52333 7/20 0.38
BTK Q06187 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
FGFR2 P21802 3/20 0.35
FGFR1 P11362 2/20 0.35
FGFR4 P22455 2/20 0.35
FGFR3 P22607 2/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL23547437 0.88 JAK3 (0.43) JAK3BTKALDH1A1LMNAHPGD
SCHEMBL27451749 0.88 JAK3 (0.43) JAK3BTKALDH1A1LMNAHPGD
SCHEMBL18904853 0.88 JAK3 (0.43) JAK3BTKALDH1A1LMNAHPGD
SCHEMBL18909618 0.88 JAK3 (0.43) JAK3BTKALDH1A1LMNAHPGD
SCHEMBL19353252 0.84 ALDH1A1 (0.51) JAK3BTKALDH1A1LMNAMAPT
SCHEMBL10283866 0.84 ALDH1A1 (0.51) JAK3BTKALDH1A1LMNAMAPT
SCHEMBL10241495 0.84 ALDH1A1 (0.51) JAK3BTKALDH1A1LMNAMAPT
SCHEMBL27451704 0.84 ALDH1A1 (0.51) JAK3BTKALDH1A1LMNAMAPT
SCHEMBL462207 0.84 ALDH1A1 (0.44) JAK3BTKALDH1A1LMNAHPGD
SCHEMBL22631089 0.84 JAK3 (0.37) CHRNB2CHRNA4JAK3BTKFGFR2

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-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
US-10870652-B2 Compounds and methods for modulating bruton's tyrosine kinase CORVUS PHARMACEUTICALS, INC. (US) 2020-12-22 US disclosed
US-20190106423-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE CORVUS BIOPHARMACEUTICALS, LTD. (KY) 2019-04-11 US 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 (3 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-20190106423-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE ABL1, BTK, LYN CHRNB2 2283/4885CHRNA4 3710/4885JAK3 110/4885
US-20170152264-A1 AMINOPYRIDAZINONE COMPOUNDS AS PROTEIN KINASE INHIBITORS SSB, MAPKAPK5, BCL9 CHRNB2 4718/4885CHRNA4 4628/4885JAK3 447/4885
US-10870652-B2 Compounds and methods for modulating bruton's tyrosine kinase ABL1, BTK, LYN CHRNB2 2283/4885CHRNA4 3710/4885JAK3 110/4885

“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.