SCHEMBL6870403

SCHEMBL6870403

COC(=O)c1cc2nnc(-c3ccccc3F)n2nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 2/20 0.41
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
HSD11B1 P28845 1/20 0.39
KMT2A Q03164 3/20 0.39
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 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
SCHEMBL12794041 0.83 DCTPP1 (0.39) DCTPP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL6519834 0.76 HSD11B1 (0.44) DCTPP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL6775681 0.75 HSD11B1 (0.43) DCTPP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL6775795 0.75 DCTPP1 (0.45) DCTPP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL2656762 0.75 GABRA1 (0.54) DCTPP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL6869998 0.75 HSD11B1 (0.43) DCTPP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL6527771 0.73 GABRA1 (0.43) DCTPP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL6524041 0.72 GABRA1 (0.47) DCTPP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL12794117 0.72 GABRA1 (0.45) DCTPP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL6768851 0.71 HSD11B1 (0.40) DCTPP1GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993570-B2 Substituted triazolo-pyridazine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-8501738-B2 Substituted triazolo-pyridazine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2013-08-06 US disclosed
US-20110065711-A1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2011-03-17 US disclosed
WO-2011005520-A1 DEUTERIUM-MODIFIED TRIAZOLO-PYRIDAZINE DERIVATIVES AS GABA-A RECEPTOR MODULATORS CONCERT PHARMACEUTICALS, INC. (US) 2011-01-13 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-20110065711-A1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES GABRA5, GABRA2, GABRA3 DCTPP1 4056/4885GABRA1 4/4885GABRG2 16/4885

“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.