SCHEMBL9976130

SCHEMBL9976130

N#Cc1cccc2c1nn1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 1.00

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
SCHEMBL9975954 0.87 AKT1 (1.00) AKT1
SCHEMBL15395261 0.87 AKT1 (1.00) AKT1
Hydrochloric Acid SCHEMBL15388292 0.86 AKT1 (0.98) AKT1
SCHEMBL9976142 0.86 AKT1 (1.00) AKT1
SCHEMBL9976204 0.85 AKT1 (0.81) AKT1
SCHEMBL15388167 0.84 AKT1 (1.00) AKT1
SCHEMBL16892850 0.83 AKT1 (0.82) AKT1
SCHEMBL9975922 0.83 AKT1 (1.00) AKT1
SCHEMBL9975955 0.80 AKT1 (1.00) AKT1
SCHEMBL9976199 0.80 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 11 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 claimed
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 claimed
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 claimed
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
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-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-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
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
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 26/4885

“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.