SCHEMBL15664484

SCHEMBL15664484

CCOc1ccc(NC(=O)NC2CCN(c3ncnc4[nH]ccc34)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.80
PAK1 Q13153 4/20 0.62
BTK Q06187 4/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
JAK2 O60674 2/20 0.54
AKT2 P31751 1/20 0.53
GSK3B P49841 1/20 0.53
JAK1 P23458 1/20 0.52
JAK3 P52333 1/20 0.52

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
SCHEMBL15514864 0.91 KIT (0.76) KITPAK1BTKJAK2JAK1
SCHEMBL15664203 0.89 KIT (1.00) KITPAK1BTKNPC1RAB9A
SCHEMBL15664368 0.86 KIT (0.73) KITPAK1BTKAKT2
SCHEMBL15664461 0.85 KIT (0.77) KITPAK1BTKAKT2GSK3B
SCHEMBL15664612 0.85 KIT (0.77) KITPAK1BTKAKT2GSK3B
SCHEMBL15664208 0.85 KIT (0.77) KITPAK1BTK
SCHEMBL15665072 0.85 KIT (0.76) KITPAK1BTKJAK2JAK1
SCHEMBL15664193 0.85 KIT (0.73) KITPAK1BTKJAK2JAK1
SCHEMBL15664983 0.83 KIT (0.80) KITPAK1BTKJAK2AKT2
SCHEMBL15664545 0.83 KIT (0.78) KIT

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 1/4885PAK1 196/4885BTK 197/4885
US-20140128390-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA KIT 1/4885PAK1 196/4885BTK 197/4885

“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.