SCHEMBL2979235

SCHEMBL2979235

Cc1cccc(-c2n[nH]c(C3CCNCC3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.43
AKT2 P31751 16/20 0.43
USP30 Q70CQ3 1/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
CCR1 P32246 1/20 0.41
CCR8 P51685 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
SCHEMBL3707946 0.86 AKT1 (0.44) AKT1AKT2USP30CCR1CCR8
Hydrochloric Acid SCHEMBL3708885 0.84 AKT1 (0.43) AKT1AKT2USP30CCR1CCR8
SCHEMBL10286741 0.79 USP30 (0.59) AKT1AKT2USP30
SCHEMBL1428337 0.76 CCR1 (0.42) CCR1CCR8
SCHEMBL2755247 0.76 CCR1 (0.42) TLR9TLR8TLR7CCR1CCR8
SCHEMBL3701974 0.76 AKT1 (0.48) AKT1AKT2USP30
Hydrochloric Acid SCHEMBL15310330 0.75 CCR1 (0.41) CCR1CCR8
SCHEMBL10070058 0.75 USP30 (0.56) USP30TLR9TLR8TLR7
SCHEMBL12093290 0.74 HTR2C (0.47) TLR9TLR8TLR7CCR1CCR8
SCHEMBL30469416 0.74 HTR2C (0.47) TLR9TLR8TLR7CCR1CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614218-B2 Fused bicyclic pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-24 US disclosed
CN-101778851-B Fused bicyclic pyrimidines BAYER SCHERING PHARMA AG 2013-05-08 CN disclosed
EP-2188291-B1 FUSED BICYCLIC PYRIMIDINES Bayer Pharma AG (DE) 2012-09-19 EP disclosed
US-7776864-B2 Fused bicyclic pyrimidines BAYER SCHERING PHARMA AG (DE) 2010-08-17 US disclosed
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-07-22 US disclosed
CN-101778851-A Fused bicyclic pyrimidines BAYER SCHERING PHARMA AG 2010-07-14 CN disclosed
EP-2188291-A2 FUSED BICYCLIC PYRIMIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-05-26 EP disclosed
US-20090137607-A1 FUSED BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-05-28 US disclosed
WO-2009021992-A2 FUSED BICYCLIC PYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 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 (2 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-20090137607-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR AKT1 9/4885AKT2 4/4885USP30 4526/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR AKT1 9/4885AKT2 4/4885USP30 4526/4885

“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.