SCHEMBL4054705

SCHEMBL4054705

C#Cc1ccc2cn[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 3/20 0.53
DYRK1A Q13627 2/20 0.53
METAP2 P50579 2/20 0.53
MEN1 O00255 1/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
FGFR1 P11362 6/20 0.49
FGFR2 P21802 2/20 0.47
FGFR3 P22607 1/20 0.47
CYP3A4 P08684 3/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
HSP90AA1 P07900 1/20 0.45
IDO1 P14902 1/20 0.45
CDK2 P24941 1/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 2/20 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
SCHEMBL1519704 0.85 ROCK2 (0.53) NOS1MAPTKDM4EDYRK1AMETAP2
SCHEMBL578190 0.81 NOS1 (0.53) NOS1MAPTKDM4EDYRK1AMETAP2
SCHEMBL2012644 0.81 NOS1 (0.53) NOS1MAPTKDM4EDYRK1AMETAP2
SCHEMBL29941668 0.81 NOS1 (0.53) NOS1MAPTKDM4EDYRK1AMETAP2
Hydrochloric Acid SCHEMBL20919850 0.79 NOS1 (0.52) NOS1MAPTKDM4EDYRK1AMETAP2
SCHEMBL3687672 0.75 KDM4E (0.47) NOS1MAPTKDM4EDYRK1AMETAP2
SCHEMBL12120904 0.74 GRIN2B (0.49) NOS1MAPTKDM4EDYRK1AMETAP2
SCHEMBL2926098 0.74 MAPT (0.54) NOS1MAPTKDM4EDYRK1AMETAP2
SCHEMBL12120903 0.74 MAPT (0.50) NOS1MAPTKDM4EDYRK1AMETAP2
SCHEMBL12354 0.74 KDM4E (0.59) NOS1MAPTKDM4EDYRK1AMETAP2

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
US-20230374015-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES KINNATE BIOPHARMA INC. 2023-11-23 US disclosed
US-20230374015-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES KINNATE BIOPHARMA INC. 2023-11-23 US disclosed
US-20230374015-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES KINNATE BIOPHARMA INC. 2023-11-23 US disclosed
US-20230257372-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-17 US disclosed
CN-116096707-A Inhibitors of fibroblast growth factor receptor kinase 金耐特生物制药公司 2023-05-09 CN disclosed
EP-4161657-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES Kinnate Biopharma Inc. (US) 2023-04-12 EP disclosed
EP-2170839-B1 ALKYNYLPYRIMIDINES AS TIE2 KINASE INHIBITORS BAYER IP GMBH (DE) 2015-09-09 EP disclosed
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-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-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
CN-101679310-B Alkynylpyrimidines as Tie2 kinase inhibitors BAYER SCHERING PHARMA AG 2012-08-08 CN disclosed
CN-101679310-A Alkynylpyrimidines as Tie2 kinase inhibitors BAYER SCHERING PHARMA AG 2010-03-24 CN 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
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
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
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 (3 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-20230374015-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES FGFR1, FGFR2, FGFR3 NOS1 3939/4885MAPT 3513/4885KDM4E 2742/4885
US-20090099219-A1 ALKYNYLPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME KDR, TIE1, FLT1 NOS1 61/4885MAPT 189/4885KDM4E 995/4885
US-20230257372-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC6, HDAC1, HDAC3 NOS1 3053/4885MAPT 929/4885KDM4E 544/4885

“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.