SCHEMBL5096641

SCHEMBL5096641

CCc1ccc(C#C[Si](C)(C)C)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
ACACB O00763 1/20 0.37
GABRA1 P14867 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35
GABRA2 P47869 3/20 0.35
GABRA4 P48169 2/20 0.35
GABRA6 Q16445 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
MTOR P42345 4/20 0.34
PIK3CA P42336 3/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
EGLN1 Q9GZT9 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
SCHEMBL3001118 0.84 FFAR1 (0.40) FFAR1ACACBGABRA1GABRG2GABRB3
SCHEMBL30707713 0.82 ACACB (0.36) FFAR1ACACBGABRA1GABRG2GABRB3
SCHEMBL30998264 0.81 FFAR1 (0.44) FFAR1ACACBGABRA1GABRG2GABRB3
SCHEMBL19116244 0.78 FFAR1 (0.59) FFAR1ACACBMTORPIK3CACHRNB2
SCHEMBL30707771 0.77 EGLN2 (0.33) FFAR1ACACBCYP1A2CYP2E1CYP2A6
SCHEMBL1306099 0.76 GRM5 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30223758 0.76 FFAR1 (0.69) FFAR1ACACBEGLN1
SCHEMBL22066488 0.75 ACACB (0.49) ACACBGABRA1GABRG2GABRB3GABRA5
SCHEMBL4370752 0.75 FFAR1 (0.43) FFAR1ACACBGABRA1GABRG2GABRB3
SCHEMBL30998279 0.75 FFAR1 (0.34) FFAR1ACACBGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 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-9090564-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2015-07-28 US disclosed
US-8916548-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-20140073621-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 US disclosed
US-8633183-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 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-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-20110098275-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US disclosed
US-20080004317-A1 Compounds ASTRAZENECA AB (SE) 2008-01-03 US disclosed
EP-1794147-A1 COMPOUNDS AstraZeneca AB (SE) 2007-06-13 EP disclosed
CN-1980915-A Compounds. ASTRAZENECA AB (SE) 2007-06-13 CN disclosed
WO-2006004533-A1 COMPOUNDS ASTRAZENECA AB (SE) 2006-01-12 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 (9 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 FFAR1 2089/4885ACACB 1958/4885GABRA1 3936/4885
US-20160199383-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 FFAR1 2334/4885ACACB 1799/4885GABRA1 4030/4885
US-20130196975-A1 5-ALKYNYL-PYRIDINES MKI67, KIT, CCNA1 FFAR1 2578/4885ACACB 2675/4885GABRA1 3704/4885
US-20110281838-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 FFAR1 1874/4885ACACB 1934/4885GABRA1 3901/4885
US-20080004317-A1 Compounds CYP1A2, CYP2D6, F12 FFAR1 2776/4885ACACB 2911/4885GABRA1 1252/4885
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 FFAR1 3358/4885ACACB 376/4885GABRA1 3194/4885
US-20140073621-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 FFAR1 2334/4885ACACB 1799/4885GABRA1 4030/4885
US-20120028952-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 FFAR1 2334/4885ACACB 1799/4885GABRA1 4030/4885
US-20110098275-A1 5-ALKYNYL-PYRIDINES MKI67, KIT, CCNA1 FFAR1 2578/4885ACACB 2675/4885GABRA1 3704/4885

“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.