SCHEMBL1810704

SCHEMBL1810704

CC1CNc2ccccc2-n2c(-c3ccccc3)nnc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.48
BRD4 O60885 1/20 0.44
TNKS2 Q9H2K2 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
AVPR1A P37288 2/20 0.37
AVPR2 P30518 1/20 0.37

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
SCHEMBL1810709 1.00 AKT1 (0.48) AKT1BRD4TNKS2MEN1GAA
SCHEMBL1810707 1.00 AKT1 (0.48) AKT1BRD4TNKS2MEN1GAA
SCHEMBL1810105 0.90 AKT1 (0.46) AKT1BRD4MEN1GAAKMT2A
SCHEMBL1810103 0.90 AKT1 (0.46) AKT1BRD4MEN1GAAKMT2A
SCHEMBL1810101 0.90 AKT1 (0.46) AKT1BRD4MEN1GAAKMT2A
SCHEMBL313665 0.88 OXTR (0.43) AKT1BRD4MEN1GAAKMT2A
SCHEMBL313663 0.88 OXTR (0.43) AKT1BRD4MEN1GAAKMT2A
SCHEMBL313664 0.88 OXTR (0.43) AKT1BRD4MEN1GAAKMT2A
SCHEMBL316637 0.87 AKT1 (0.36) AKT1TNKS2GAAAVPR1A
SCHEMBL316638 0.87 AKT1 (0.36) AKT1TNKS2GAAAVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP claimed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP disclosed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US disclosed
WO-2007079820-A1 TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2007-07-19 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 (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-20080306042-A1 Triazole Derivatives TGFBR1, TGFBR2, SMAD3 AKT1 457/4885BRD4 808/4885TNKS2 630/4885

“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.