SCHEMBL15664995

SCHEMBL15664995

COc1ccc(C(=O)N2CCN(c3ncnc4[nH]ccc34)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIT P10721 6/20 0.74
AKT1 P31749 2/20 0.66
JAK3 P52333 3/20 0.53
MAPK7 Q13164 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLC6A7 Q99884 1/20 0.52
PAK1 Q13153 1/20 0.52
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51
HTR2C P28335 1/20 0.51
LCK P06239 1/20 0.51

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
SCHEMBL30945069 0.85 KIT (0.79) KITAKT1JAK3HTR2CLCK
SCHEMBL15663714 0.85 KIT (1.00) KITAKT1JAK3ALDH1A1MAPT
SCHEMBL15664342 0.85 KIT (0.77) KITAKT1MAPT
SCHEMBL15664156 0.85 KIT (0.74) KITAKT1JAK3SLC6A7HTR2C
SCHEMBL1792360 0.83 JAK3 (0.62) KITAKT1JAK3MAPTSMN1; SMN2
SCHEMBL15515055 0.81 PAK1 (0.74) KITAKT1JAK3PAK1JAK2
SCHEMBL15663843 0.81 KIT (0.60) KITAKT1JAK3JAK2JAK1
SCHEMBL323723 0.80 JAK3 (0.56) KITAKT1JAK3JAK2JAK1
SCHEMBL30976737 0.79 KIT (0.71) KITAKT1JAK3HTR2CLCK
SCHEMBL15664977 0.78 JAK1 (0.59) AKT1JAK3ALDH1A1HPGDSMN1; SMN2

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 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
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 1/4885AKT1 40/4885JAK3 148/4885
US-20140128390-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA KIT 1/4885AKT1 40/4885JAK3 148/4885

“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.