SCHEMBL15664390

SCHEMBL15664390

O=S(=O)(c1ccccc1)N1CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.61
JAK3 P52333 3/20 0.59
HTR2C P28335 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
RPS6KB1 P23443 1/20 0.56
AKT2 P31751 3/20 0.55
GSK3B P49841 2/20 0.55
GBA1 P04062 1/20 0.55
RAB9A P51151 1/20 0.55
JAK1 P23458 3/20 0.54
JAK2 O60674 1/20 0.54
LCK P06239 1/20 0.53
ENPP1 P22413 1/20 0.52
BTK Q06187 1/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL15664977 0.85 JAK1 (0.59) JAK3HTR2CSMN1; SMN2ALDH1A1HPGD
SCHEMBL15664196 0.85 KIT (0.62) KITJAK3HTR2CAKT2GSK3B
SCHEMBL29230297 0.82 JAK3 (0.65) KITJAK3HTR2CRPS6KB1AKT2
SCHEMBL1789204 0.80 RPS6KB1 (0.72) KITJAK3HTR2CRPS6KB1AKT2
SCHEMBL15663954 0.79 JAK2 (0.59) KITJAK3AKT2GSK3BJAK1
SCHEMBL29230286 0.78 JAK3 (0.67) KITJAK3HTR2CRPS6KB1AKT2
SCHEMBL15663861 0.77 JAK3 (0.58) KITJAK3HTR2CRPS6KB1AKT2
SCHEMBL1793242 0.77 JAK3 (0.65) KITJAK3HTR2CRPS6KB1AKT2
SCHEMBL323667 0.77 GBA1 (0.51) JAK3GBA1RAB9AJAK1JAK2
SCHEMBL31195216 0.76 GFER (0.56) KITSMN1; SMN2ALDH1A1

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-2892534-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-08-04 EP disclosed
US-10227357-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-03-12 US disclosed
US-10227357-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-03-12 US disclosed
US-20140128390-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 US disclosed
US-20140128390-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 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 (2 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-10227357-B2 Compounds and methods for kinase modulation, and indications therefor KIT, PRKCH, PRKACA KIT 1/4885JAK3 148/4885HTR2C 2711/4885
US-20140128390-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA KIT 1/4885JAK3 148/4885HTR2C 2711/4885

“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.