SCHEMBL362037

SCHEMBL362037

CC(C)(C)Nc1c(-c2ccccc2)c(Cl)nc2nc(-c3ccccn3)nn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.46
AKT2 P31751 8/20 0.46
RAB9A P51151 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE10A Q9Y233 2/20 0.39
TOP2A P11388 1/20 0.36
METAP1 P53582 1/20 0.36
KLKB1 P03952 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 2/20 0.35
HPGD P15428 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HIF1A Q16665 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
SCHEMBL3702794 0.88 AKT1 (0.56) AKT1AKT2RAB9APDE10AMETAP1
SCHEMBL3704571 0.86 AKT1 (0.58) AKT1AKT2PDE10AMETAP1KLKB1
SCHEMBL364249 0.81 AKT1 (0.43) AKT1AKT2RAB9APDE10AMETAP1
SCHEMBL3702792 0.76 AKT1 (0.42) AKT1AKT2RAB9APDE10AMETAP1
SCHEMBL361079 0.74 AKT1 (0.47) AKT1AKT2TOP2ABRD4
SCHEMBL3710979 0.69 RAB9A (0.40) AKT1AKT2RAB9APDE10AKLKB1
SCHEMBL3709664 0.68 AKT1 (0.59) AKT1AKT2METAP1SMN1; SMN2LMNA
SCHEMBL361456 0.65 AKT1 (0.46) AKT1AKT2MEN1KMT2ASMN1; SMN2
SCHEMBL2964515 0.64 AKT1 (0.46) AKT1AKT2RAB9ASMN1; SMN2KDM4E
SCHEMBL11031559 0.63 KDM4E (0.44) RAB9APDE10AMETAP1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184273-A1 BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
EP-2593458-A1 BICYCLIC PYRIMIDINES Bayer Intellectual Property GmbH (DE) 2013-05-22 EP disclosed
WO-2012007416-A1 BICYCLIC PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 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-20130184273-A1 BICYCLIC PYRIMIDINES PIK3CA, TYMS, PIK3CD AKT1 42/4885AKT2 24/4885RAB9A 1956/4885

“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.