SCHEMBL15664643

SCHEMBL15664643

CCc1ccc(C(=O)NC2CCN(c3ncnc4[nH]ccc34)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.76
JAK2 O60674 3/20 0.60
JAK3 P52333 3/20 0.60
PAK1 Q13153 5/20 0.58
LCK P06239 1/20 0.56
AKT2 P31751 3/20 0.55
GSK3B P49841 2/20 0.55
JAK1 P23458 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
SCHEMBL29230342 0.87 PAK1 (0.73) KITJAK2JAK3PAK1LCK
SCHEMBL9967045 0.86 KIT (0.65) KITJAK2JAK3PAK1LCK
SCHEMBL15664203 0.86 KIT (1.00) KITPAK1LCKAKT2GSK3B
SCHEMBL9967157 0.86 JAK2 (0.65) KITJAK2JAK3PAK1LCK
SCHEMBL15515055 0.86 PAK1 (0.74) KITJAK2JAK3PAK1LCK
SCHEMBL9967220 0.85 JAK3 (0.58) KITJAK2JAK3PAK1LCK
SCHEMBL9967160 0.83 JAK3 (0.61) KITJAK2JAK3PAK1LCK
SCHEMBL15664101 0.82 KIT (0.67) KITJAK2JAK3LCKAKT2
SCHEMBL15664350 0.82 KIT (0.69) KITJAK2JAK3LCKAKT2
SCHEMBL15664156 0.81 KIT (0.74) KITJAK3

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 1/4885JAK2 150/4885JAK3 148/4885
US-20140128390-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA KIT 1/4885JAK2 150/4885JAK3 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.