SCHEMBL15664508

SCHEMBL15664508

CCCS(=O)(=O)NC1CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.60
JAK2 O60674 11/20 0.60
LCK P06239 1/20 0.60
AKT2 P31751 3/20 0.59
GSK3B P49841 2/20 0.59
KIT P10721 2/20 0.58
JAK1 P23458 7/20 0.58
TYK2 P29597 6/20 0.58
MAOA P21397 1/20 0.58
KDR P35968 1/20 0.58
ENPP1 P22413 1/20 0.53

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
SCHEMBL30008783 0.94 JAK2 (0.64) JAK3JAK2LCKAKT2GSK3B
SCHEMBL24804219 0.85 LCK (0.67) JAK3JAK2LCKAKT2GSK3B
SCHEMBL24805927 0.85 AKT2 (0.67) JAK3JAK2LCKAKT2GSK3B
SCHEMBL15664210 0.81 KIT (0.74) JAK3JAK2LCKAKT2GSK3B
SCHEMBL15663861 0.80 JAK3 (0.58) JAK3JAK2LCKAKT2GSK3B
SCHEMBL15663954 0.79 JAK2 (0.59) JAK3JAK2LCKAKT2GSK3B
SCHEMBL15664101 0.79 KIT (0.67) JAK3JAK2LCKAKT2GSK3B
SCHEMBL3586517 0.79 JAK3 (0.65) JAK3JAK2LCKAKT2GSK3B
SCHEMBL9966955 0.79 LCK (0.75) JAK3JAK2LCKAKT2GSK3B
SCHEMBL30009536 0.78 JAK2 (0.56) JAK3JAK2LCKAKT2GSK3B

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 JAK3 148/4885JAK2 150/4885LCK 156/4885
US-20140128390-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA JAK3 148/4885JAK2 150/4885LCK 156/4885

“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.