SCHEMBL5264145

SCHEMBL5264145

COc1ccc(-c2nc3nc(C)ccn3c2-c2ccc(SCC3CCCCC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 9/20 0.46
AKT2 P31751 8/20 0.46
CKS1B P61024 3/20 0.40
SKP2 Q13309 3/20 0.40
METAP2 P50579 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALOX5 P09917 1/20 0.37
CREBBP Q92793 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL5266638 0.90 AKT1 (0.48) AKT1AKT2ADORA3
SCHEMBL5261658 0.86 ALDH1A1 (0.51) AKT1AKT2METAP2CYP1A2CYP2E1
SCHEMBL5263100 0.82 AKT1 (0.45) AKT1AKT2NPC1RAB9AALOX5
SCHEMBL5264967 0.82 AKT1 (0.45) AKT1AKT2NPC1RAB9AALOX5
SCHEMBL5259567 0.81 AKT1 (0.44) AKT1AKT2NPC1RAB9AALOX5
SCHEMBL5261912 0.81 AKT1 (0.47) AKT1AKT2CYP1A2NPC1RAB9A
SCHEMBL5264520 0.78 AKT1 (0.45) AKT1AKT2NPC1RAB9ATP53
SCHEMBL5262618 0.77 AKT1 (0.48) AKT1AKT2CYP1A2NPC1RAB9A
SCHEMBL5262073 0.76 AKT1 (0.48) AKT1AKT2CKS1BSKP2NPC1
SCHEMBL5264876 0.76 AKT1 (0.51) AKT1AKT2CYP3A4NPC1RAB9A

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
EP-1660500-B1 SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER S A L V A T LAB SA (ES) 2007-12-12 EP disclosed
US-20060189631-A1 Substituted imidazopyrimidines for the prevention and treatment of cancer LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-08-24 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 (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-20060189631-A1 Substituted imidazopyrimidines for the prevention and treatment of cancer BRCA1, CCNA1, DPYD AKT1 3579/4885AKT2 3297/4885CKS1B 274/4885

“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.