SCHEMBL3687672

SCHEMBL3687672

C[Si](C)(C)C#Cc1ccc2cn[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
NOS1 P29475 3/20 0.47
MAPT P10636 3/20 0.47
DYRK1A Q13627 2/20 0.47
METAP2 P50579 2/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
FGFR1 P11362 6/20 0.44
HAO1 Q9UJM8 2/20 0.43
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
GRIN2B Q13224 2/20 0.42
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3643549 0.87 NOS1 (0.47) KDM4ENOS1MAPTDYRK1AMETAP2
SCHEMBL12120904 0.79 GRIN2B (0.49) KDM4ENOS1MAPTDYRK1AMETAP2
SCHEMBL1914269 0.76 CYP1A1 (0.38) CYP1A2
SCHEMBL2926098 0.75 MAPT (0.54) KDM4ENOS1MAPTDYRK1AMETAP2
SCHEMBL12120903 0.75 MAPT (0.50) KDM4ENOS1MAPTDYRK1AMETAP2
SCHEMBL2012644 0.75 NOS1 (0.53) KDM4ENOS1MAPTDYRK1AMETAP2
SCHEMBL4054705 0.75 NOS1 (0.53) KDM4ENOS1MAPTDYRK1AMETAP2
SCHEMBL29941668 0.75 NOS1 (0.53) KDM4ENOS1MAPTDYRK1AMETAP2
SCHEMBL578190 0.75 NOS1 (0.53) KDM4ENOS1MAPTDYRK1AMETAP2
SCHEMBL12986433 0.74 CYP1A2 (0.37) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170839-B1 ALKYNYLPYRIMIDINES AS TIE2 KINASE INHIBITORS BAYER IP GMBH (DE) 2015-09-09 EP disclosed
US-8642611-B2 Alkynylpyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 US disclosed
US-8524724-B2 2013-09-03 US disclosed
EP-2170839-A1 ALKYNYLPYRIMIDINES AS TIE2 KINASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-07 EP disclosed
US-20090099219-A1 ALKYNYLPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-04-16 US disclosed
EP-2022785-A1 Alkynylpyrimidines as Tie2 kinase inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-11 EP disclosed
WO-2008155140-A1 ALKYNYLPYRIMIDINES AS TIE2 KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 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-20090099219-A1 ALKYNYLPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME KDR, TIE1, FLT1 KDM4E 995/4885NOS1 61/4885MAPT 189/4885

“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.