SCHEMBL15664695

SCHEMBL15664695

O=C(NCc1ccc(Cl)cc1)NC1CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 10/20 0.70
AKT1 P31749 8/20 0.70
CYP2C9 P11712 2/20 0.70
ROCK2 O75116 1/20 0.70
KCNH2 Q12809 1/20 0.70
AKT3 Q9Y243 1/20 0.70
KIT P10721 1/20 0.65
GSK3B P49841 3/20 0.57
CYP2D6 P10635 1/20 0.57
RPS6KB1 P23443 1/20 0.57
JAK2 O60674 2/20 0.56
JAK1 P23458 2/20 0.56
TYK2 P29597 2/20 0.56
JAK3 P52333 2/20 0.56

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
SCHEMBL15664416 0.90 AKT2 (0.70) AKT2AKT1CYP2C9ROCK2KCNH2
SCHEMBL15664461 0.85 KIT (0.77) AKT2KITGSK3BJAK1
SCHEMBL15664729 0.83 JAK2 (0.70) AKT2KITJAK2JAK1TYK2
SCHEMBL1001031 0.82 AKT2 (1.00) AKT2AKT1CYP2C9ROCK2KCNH2
SCHEMBL15664350 0.82 KIT (0.69) AKT2KITGSK3BJAK2JAK1
SCHEMBL15515305 0.82 KIT (0.74) AKT2AKT1CYP2C9ROCK2KCNH2
SCHEMBL15664244 0.81 KIT (0.68) AKT2KITGSK3BJAK3
SCHEMBL15664582 0.81 KIT (0.63) AKT2AKT1ROCK2KCNH2AKT3
SCHEMBL2779259 0.81 AKT2 (0.79) AKT2AKT1CYP2C9ROCK2KCNH2
SCHEMBL15664428 0.80 KIT (0.67) AKT2KITGSK3BJAK3

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 AKT2 72/4885AKT1 40/4885CYP2C9 4038/4885
US-20140128390-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA AKT2 72/4885AKT1 40/4885CYP2C9 4038/4885

“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.