SCHEMBL3701974

SCHEMBL3701974

Cc1cccc(-c2n[nH]c(C3CN(C(=O)O)C3)n2)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.48
AKT2 P31751 17/20 0.48
HSD11B1 P28845 1/20 0.45
USP30 Q70CQ3 1/20 0.43
KDM5A P29375 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
SCHEMBL27823375 0.84 AKT1 (0.44) AKT1AKT2HSD11B1
SCHEMBL3707946 0.78 AKT1 (0.44) AKT1AKT2USP30
Hydrochloric Acid SCHEMBL3708885 0.77 AKT1 (0.43) AKT1AKT2USP30
SCHEMBL1740301 0.76 KDM5A (0.48) KDM5A
SCHEMBL2979235 0.76 AKT1 (0.43) AKT1AKT2USP30
SCHEMBL20139964 0.69 KDM5A (0.58) KDM5A
SCHEMBL12231361 0.67 USP30 (0.58) HSD11B1USP30
SCHEMBL13377809 0.66 CCR1 (0.54)
SCHEMBL20139993 0.65 DRD2 (0.54) KDM5A
SCHEMBL20140921 0.64 HTR1A (0.45) KDM5A

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
EP-2396330-B1 FUSED PYRIMIDINES BAYER IP GMBH (DE) 2016-04-06 EP disclosed
US-8957064-B2 Fused pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (US) 2015-02-17 US disclosed
US-20130317002-A1 FUSED PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 US disclosed
US-20130310362-A1 FUSED PYRIMIDINES BAYER PHARMA AKTIEGESELLSCHAFT (DE) 2013-11-21 US disclosed
EP-2396331-B1 FUSED PYRIMIDINES AS AKT INHIBITORS BAYER IP GMBH (DE) 2013-10-16 EP disclosed
EP-2396330-A1 FUSED PYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2011-12-21 EP disclosed
EP-2396331-A1 FUSED PYRIMIDINES AS AKT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2011-12-21 EP disclosed
WO-2010091824-A1 FUSED PYRIMIDINES AS AKT INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 WO disclosed
WO-2010091808-A1 FUSED PYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 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-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS AKT1 5/4885AKT2 4/4885HSD11B1 1018/4885
US-20130310362-A1 FUSED PYRIMIDINES PIK3CA, MTOR, PIK3CD AKT1 5/4885AKT2 4/4885HSD11B1 1337/4885

“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.