SCHEMBL15664162

SCHEMBL15664162

O=C(NC1CCCC1)N1CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIT P10721 9/20 0.62
JAK3 P52333 2/20 0.59
AKT2 P31751 2/20 0.57
GSK3B P49841 2/20 0.57
LCK P06239 1/20 0.56
DOT1L Q8TEK3 1/20 0.56
BTK Q06187 2/20 0.54
HTR2C P28335 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
SCHEMBL15664487 0.99 KIT (0.61) KITJAK3AKT2GSK3BLCK
SCHEMBL15664244 0.86 KIT (0.68) KITJAK3AKT2GSK3BLCK
SCHEMBL15664428 0.85 KIT (0.67) KITJAK3AKT2GSK3BLCK
SCHEMBL15664177 0.84 KIT (0.63) KITJAK3AKT2GSK3BLCK
SCHEMBL15664399 0.83 JAK3 (0.62) KITJAK3AKT2GSK3BLCK
SCHEMBL15663627 0.82 KIT (0.60) KITJAK3AKT2GSK3BLCK
SCHEMBL1050045 0.81 JAK3 (0.65) JAK3LCK
SCHEMBL1047995 0.81 BTK (0.53) KITJAK3AKT2GSK3BDOT1L
SCHEMBL10317056 0.81 BTK (0.53) KITJAK3AKT2GSK3BDOT1L
SCHEMBL29436071 0.81 KIT (0.66) KITJAK3AKT2GSK3BLCK

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 6 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 claimed
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 148/4885AKT2 72/4885
US-20140128390-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA KIT 1/4885JAK3 148/4885AKT2 72/4885

“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.