SCHEMBL12466916

SCHEMBL12466916

C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.57
FFAR4 Q5NUL3 1/20 0.49
TSHR P16473 2/20 0.47
BRD4 O60885 1/20 0.46
CYP2C9 P11712 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL12466604 0.87 PIK3CA (0.58) PIK3CAFFAR4
SCHEMBL12466837 0.84 PIK3CA (0.61) PIK3CA
SCHEMBL12466733 0.80 PIK3CA (0.56) PIK3CATSHR
SCHEMBL12466451 0.78 PIK3CA (0.51) PIK3CA
SCHEMBL12466636 0.75 PIK3CA (0.77) PIK3CA
SCHEMBL19241721 0.74 PIK3CA (0.33) PIK3CA
SCHEMBL12498216 0.73 PIK3CA (1.00) PIK3CA
SCHEMBL12498247 0.72 PIK3CA (1.00) PIK3CA
SCHEMBL7589428 0.71 FFAR4 (0.67) FFAR4TSHRBRD4MEN1KMT2A
SCHEMBL14652527 0.70 PIK3CA (0.57) PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668179-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2017-08-16 EP disclosed
EP-2668179-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2017-08-16 EP disclosed
EP-2668178-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2016-01-20 EP disclosed
EP-2668178-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2016-01-20 EP disclosed
EP-2668178-A1 NEW 5-ALKYNYL-PYRIDINES Boehringer Ingelheim International GmbH (DE) 2013-12-04 EP disclosed
EP-2668179-A1 NEW 5-ALKYNYL-PYRIDINES Boehringer Ingelheim International GmbH (DE) 2013-12-04 EP disclosed
US-8598157-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-03 US disclosed
US-8466162-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8466162-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8466162-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20130023519-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-20130023533-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-20130023519-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-20130023533-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-20130023533-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-20130023519-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
EP-2546249-A1 5-Alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-16 EP disclosed
EP-2546249-A1 5-Alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-16 EP disclosed
WO-2012101186-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 WO disclosed
WO-2012101184-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 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-20130023519-A1 5-ALKYNYL-PYRIDINES PIK3CA, PTEN, PIK3CD PIK3CA 1/4885FFAR4 2632/4885TSHR 2533/4885
US-20130023533-A1 NEW 5-ALKYNYL-PYRIDINES PIK3CA, MKI67, PIK3CD PIK3CA 1/4885FFAR4 3058/4885TSHR 3145/4885

“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.