SCHEMBL3632748

SCHEMBL3632748

C#Cc1ccc2c(c1)c(C#C)nn2C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 12/20 0.54
GABRB3 P28472 12/20 0.54
GABRA5 P31644 11/20 0.54
GABRA1 P14867 10/20 0.54
GABRA2 P47869 9/20 0.54
GABRA6 Q16445 7/20 0.54
GABRA3 P34903 8/20 0.43
GABRA4 P48169 4/20 0.43
MAP2K4 P45985 1/20 0.40
GABRB2 P47870 1/20 0.35
HTR6 P50406 1/20 0.32
FAAH O00519 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
RORC P51449 1/20 0.31
ROCK2 O75116 1/20 0.30
CHEK2 O96017 1/20 0.30
PRKACA P17612 1/20 0.30
RPS6KA3 P51812 1/20 0.30
PAK1 Q13153 1/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL15312268 0.88 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL26289606 0.86 GABRG2 (0.53) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL30356750 0.86 GABRG2 (0.53) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL21338406 0.86 GABRG2 (0.53) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL3671675 0.86 GABRA1 (0.40) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL9951676 0.84 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL2731689 0.82 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL27810087 0.80 GABRG2 (0.36) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL24358718 0.76 GABRA1 (0.34) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL25218361 0.76 GABRG2 (0.52) GABRG2GABRB3GABRA5GABRA1GABRA2

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
US-9163007-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2015-10-20 US disclosed
US-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-11-20 US disclosed
US-8648069-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2014-02-11 US disclosed
EP-2167491-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS Abbott Laboratories (US) 2010-03-31 EP disclosed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 US disclosed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 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-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 GABRG2 4695/4885GABRB3 4209/4885GABRA5 4411/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 GABRG2 4695/4885GABRB3 4209/4885GABRA5 4411/4885

“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.