SCHEMBL316638

SCHEMBL316638

Cc1ccc2c(c1)-n1c(-c3ccccc3)nnc1[C@@H](C)CN2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TNKS2 Q9H2K2 1/20 0.34
AVPR1A P37288 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL316637 1.00 AKT1 (0.36) AKT1ALDH1A1GAAMAPTTNKS2
SCHEMBL316636 1.00 AKT1 (0.36) AKT1ALDH1A1GAAMAPTTNKS2
SCHEMBL313658 0.88 HSD11B1 (0.41) AKT1ALDH1A1TNKS2AVPR1AHPGD
SCHEMBL313982 0.88 OPRD1 (0.37) AKT1ALDH1A1GAATNKS2AVPR1A
SCHEMBL313657 0.88 HSD11B1 (0.41) AKT1ALDH1A1TNKS2AVPR1AHPGD
SCHEMBL313981 0.88 OPRD1 (0.37) AKT1ALDH1A1GAATNKS2AVPR1A
SCHEMBL313983 0.88 OPRD1 (0.37) AKT1ALDH1A1GAATNKS2AVPR1A
SCHEMBL313656 0.88 HSD11B1 (0.41) AKT1ALDH1A1TNKS2AVPR1AHPGD
SCHEMBL1810709 0.87 AKT1 (0.48) AKT1GAATNKS2AVPR1A
SCHEMBL1810707 0.87 AKT1 (0.48) AKT1GAATNKS2AVPR1A

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 6 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-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US claimed
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

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 457/4885ALDH1A1 2295/4885GAA 2915/4885

“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.