SCHEMBL21350106

SCHEMBL21350106

CCC[C@H](NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.87
ROCK2 O75116 9/20 0.87
AKT2 P31751 8/20 0.87
AKT3 Q9Y243 8/20 0.87
KCNH2 Q12809 3/20 0.87
PRKD3 O94806 2/20 0.85
LATS1 O95835 2/20 0.85
PRKCB P05771 2/20 0.85
RET P07949 2/20 0.85
FGFR1 P11362 2/20 0.85
PRKCA P17252 2/20 0.85
PRKACA P17612 2/20 0.85
PRKACB P22694 2/20 0.85
GRK2 P25098 2/20 0.85
CLK1 P49759 2/20 0.85
LIMK1 P53667 2/20 0.85
LIMK2 P53671 2/20 0.85
PRKAG1 P54619 2/20 0.85
PRKCQ Q04759 2/20 0.85
PRKCD Q05655 2/20 0.85

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
SCHEMBL386815 0.93 AKT1 (1.00) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL386814 0.93 AKT1 (1.00) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL391114 0.93 AKT1 (1.00) AKT1ROCK2AKT2AKT3KCNH2
Capivasertib SCHEMBL31360985 0.92 AKT1 (1.00) AKT1ROCK2AKT2AKT3KCNH2
Capivasertib SCHEMBL390244 0.92 AKT1 (1.00) AKT1ROCK2AKT2AKT3KCNH2
Capivasertib SCHEMBL391382 0.92 AKT1 (1.00) AKT1ROCK2AKT2AKT3KCNH2
Capivasertib SCHEMBL390243 0.92 AKT1 (1.00) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL391567 0.92 AKT1 (1.00) AKT1ROCK2AKT2AKT3KCNH2
Capivasertib SCHEMBL29557103 0.92 AKT1 (1.00) AKT1ROCK2AKT2AKT3KCNH2
SCHEMBL390328 0.92 AKT1 (1.00) AKT1ROCK2AKT2AKT3KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200261588-A1 INTERMEDIATE DRUG WITH SYNERGISTIC ANTICANCER ACTIVITY AND POLYETHYLENE GLYCOL-COUPLED SYNERGISTIC ANTICANCER DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF CHONGQING UPGRA BIOLOGICAL SCI. & TECH., LTD. (CN) 2020-08-20 US disclosed
WO-2019173516-A1 SERINE THREONINE KINASE (AKT) DEGRADATION / DISRUPTION COMPOUNDS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-09-12 WO 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 (1 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-20200261588-A1 INTERMEDIATE DRUG WITH SYNERGISTIC ANTICANCER ACTIVITY AND POLYETHYLENE GLYCOL-COUPLED SYNERGISTIC ANTICANCER DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, SLC11A2 AKT1 2476/4885ROCK2 3354/4885AKT2 2479/4885

“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.