SCHEMBL9937432

SCHEMBL9937432

N#Cc1cccc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4cccc(C#N)c4)nc32)c1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.75
ADORA2A P29274 1/20 0.46

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
SCHEMBL15388149 0.88 AKT1 (0.62) AKT1ADORA2A
SCHEMBL9975955 0.86 AKT1 (1.00) AKT1
SCHEMBL9976192 0.78 AKT1 (1.00) AKT1
SCHEMBL9975954 0.72 AKT1 (1.00) AKT1
SCHEMBL12111633 0.70 ALDH1A1 (0.57) ADORA2A
SCHEMBL12111579 0.70 ALDH1A1 (0.57) ADORA2A
SCHEMBL12111674 0.70 ALDH1A1 (0.57) ADORA2A
SCHEMBL12111559 0.70 ALDH1A1 (0.57) ADORA2A
SCHEMBL15388462 0.70 AKT1 (0.76) AKT1
SCHEMBL15388312 0.69 AKT1 (1.00) AKT1

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-2651949-B1 SUBSTITUTED PYRIMIDO[1,2-B]INDAZOLES AND THEIR USE AS MODULATORS OF THE PI3K/AKT PATHWAY BAYER IP GMBH (DE) 2015-07-15 EP disclosed
US-8987286-B2 Substituted pyrimido[1,2-b]indazoles and their use as modulators of the Pi3K/Akt pathway BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-20130310405-A1 SUBSTITUTED PYRIMIDO[1,2-B]INDAZOLES AND THEIR USE AS MODULATORS OF THE PI3K/AKT PATHWAY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-21 US disclosed
EP-2651949-A1 SUBSTITUTED PYRIMIDO[1,2-B]INDAZOLES AND THEIR USE AS MODULATORS OF THE PI3K/AKT PATHWAY Bayer Intellectual Property GmbH (DE) 2013-10-23 EP disclosed
WO-2012080237-A1 SUBSTITUTED PYRIMIDO[1,2-B]INDAZOLES AND THEIR USE AS MODULATORS OF THE PI3K/AKT PATHWAY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 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-20130310405-A1 SUBSTITUTED PYRIMIDO[1,2-B]INDAZOLES AND THEIR USE AS MODULATORS OF THE PI3K/AKT PATHWAY PIK3CA, PIK3CD, PIK3CB AKT1 26/4885ADORA2A 1592/4885

“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.