SCHEMBL11902100

SCHEMBL11902100

C[C@H](N)c1nc2cccnc2n1-c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.50
PDE4D Q08499 5/20 0.50
AKT1 P31749 4/20 0.45
AKT2 P31751 2/20 0.45
S1PR1 P21453 1/20 0.45
PDE10A Q9Y233 1/20 0.45
AKT3 Q9Y243 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL11901109 0.87 PDE4B (0.47) PDE4BPDE4DAKT1AKT2PDE10A
SCHEMBL11900976 0.87 PDE4B (0.47) PDE4BPDE4DAKT1AKT2PDE10A
SCHEMBL11900510 0.86 PDE4B (0.54) PDE4BPDE4DS1PR1MEN1KMT2A
SCHEMBL27168448 0.83 PDE10A (0.43) PDE4BPDE4DAKT1AKT2S1PR1
SCHEMBL30777159 0.83 PDE10A (0.43) PDE4BPDE4DAKT1AKT2S1PR1
SCHEMBL13506460 0.80 PDE2A (0.43) PDE4BPDE4DAKT1AKT2S1PR1
SCHEMBL13506512 0.80 PDE4B (0.51) PDE4BPDE4DAKT1AKT2MEN1
SCHEMBL2508259 0.80 PDE4B (0.51) PDE4BPDE4DAKT1AKT2MEN1
SCHEMBL11900553 0.79 PDE4B (0.54) PDE4BPDE4DAKT1AKT2MEN1
SCHEMBL13506525 0.79 PDE4B (0.47) PDE4BPDE4DAKT1AKT2PDE10A

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-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
CN-103476767-A Heterocyclic compounds as PI3 kinase inhibitors HOFFMANN LA ROCHE 2013-12-25 CN disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 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-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, AKT3 PDE4B 1402/4885PDE4D 1775/4885AKT1 5/4885

“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.