SCHEMBL503159

SCHEMBL503159

C[Si](C)(C)C#Cc1cnc2[nH]cnc2c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31

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
SCHEMBL6846640 0.83
SCHEMBL503820 0.75 EGLN1 (0.33)
SCHEMBL29859759 0.75 KDM4E (0.39)
SCHEMBL5765255 0.75 KDM4E (0.39)
SCHEMBL16150680 0.73 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1104637 0.72 PARP1 (0.43)
SCHEMBL297592 0.72 RIPK1 (0.47)
SCHEMBL29543783 0.72 RIPK1 (0.47)
SCHEMBL503744 0.71 BRAF (0.39)
SCHEMBL31546841 0.70 MMP12 (0.47)

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323992-B1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-20 EP disclosed
EP-2323992-B1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-20 EP disclosed
EP-2528903-B1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-20 EP disclosed
EP-2528903-B1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-20 EP disclosed
US-20160199383-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-14 US disclosed
US-20160199383-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-14 US disclosed
US-20160199383-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2016-07-14 US disclosed
US-9321771-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-26 US disclosed
US-9321771-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-26 US disclosed
EP-2421846-B1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2016-01-06 EP disclosed
US-20130196975-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-20130196975-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-20130196975-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20120028958-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20110281838-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-17 US disclosed
US-20110281838-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-17 US disclosed
US-20110098275-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US disclosed
US-20110098275-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 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 (6 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-20120028958-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 GABRA1 3936/4885GABRG2 4316/4885GABRB3 4246/4885
US-20160199383-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 GABRA1 4030/4885GABRG2 4374/4885GABRB3 4313/4885
US-20130196975-A1 5-ALKYNYL-PYRIDINES MKI67, KIT, CCNA1 GABRA1 3704/4885GABRG2 3998/4885GABRB3 4099/4885
US-20110281838-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 GABRA1 3901/4885GABRG2 4336/4885GABRB3 4380/4885
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 GABRA1 4030/4885GABRG2 4374/4885GABRB3 4313/4885
US-20110098275-A1 5-ALKYNYL-PYRIDINES MKI67, KIT, CCNA1 GABRA1 3704/4885GABRG2 3998/4885GABRB3 4099/4885

“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.