SCHEMBL2958324

SCHEMBL2958324

CC1=NCc2ccc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.39
ROS1 P08922 1/20 0.39
MARK3 P27448 1/20 0.39
LTK P29376 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
AURKB Q96GD4 1/20 0.39
PBK Q96KB5 1/20 0.39
STK17A Q9UEE5 1/20 0.39
MAP4K5 Q9Y4K4 1/20 0.39
TYMS P04818 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37
BACE1 P56817 4/20 0.36
APP P05067 3/20 0.36
GABRA1 P14867 3/20 0.35
GABRA5 P31644 3/20 0.35

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
SCHEMBL29405492 0.81 MAOA (0.50) CHEK2ROS1MARK3LTKFLT4
SCHEMBL1009165 0.81 MAOA (0.50) CHEK2ROS1MARK3LTKFLT4
SCHEMBL24453852 0.79 HTR5A (0.46) PARP1PARP10METAP1KDM4EALDH1A1
SCHEMBL17430265 0.78 CHEK2 (0.40) CHEK2ROS1MARK3LTKFLT4
SCHEMBL2971665 0.77 ADRA2A (0.37) CHEK2ROS1MARK3LTKFLT4
SCHEMBL2967279 0.73 ADRA2A (0.34) CHEK2ROS1MARK3LTKFLT4
SCHEMBL5846216 0.72 CHEK2 (0.36) CHEK2ROS1MARK3LTKFLT4
SCHEMBL3988229 0.71 KMT2A (0.60) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL25931026 0.71 SRD5A1 (0.42) CHEK2ROS1MARK3LTKFLT4
SCHEMBL8170948 0.70 TSHR (0.54) ADRA2AADRA2BADRA2CKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702400-B2 Salt types, crystal forms, and preparation methods for benzopyrazole compounds as RHO kinase inhibitors MEDSHINE DISCOVERY INC. (CN) 2023-07-18 US disclosed
US-9878992-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-20170342048-A1 GDF-8 Inhibitors MIDCAP FINANCIAL TRUST 2017-11-30 US disclosed
US-9809604-B2 DGAT1 inhibitor and preparation method and use thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2017-11-07 US disclosed
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use MIDCAP FINANCIAL TRUST 2017-04-06 US disclosed
US-9518040-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-12-13 US disclosed
US-20160272651-A1 DGAT1 Inhibitor and Preparation Method and Use Thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2016-09-22 US disclosed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-9145433-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-09-29 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
US-20140107073-A1 GDF-8 Inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-04-17 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
WO-2006065809-A2 HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 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 (8 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-11702400-B2 Salt types, crystal forms, and preparation methods for benzopyrazole compounds as RHO kinase inhibitors ROCK1, ROCK2, RHOA CHEK2 2126/4885ROS1 367/4885MARK3 37/4885
US-20140107073-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 CHEK2 2115/4885ROS1 3505/4885MARK3 3397/4885
US-20160272651-A1 DGAT1 Inhibitor and Preparation Method and Use Thereof DGAT1, DGAT2, LCAT CHEK2 4349/4885ROS1 2862/4885MARK3 2816/4885
US-20170342048-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 CHEK2 2115/4885ROS1 3505/4885MARK3 3397/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 CHEK2 3533/4885ROS1 820/4885MARK3 595/4885
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS CHEK2 731/4885ROS1 43/4885MARK3 1652/4885
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS CHEK2 731/4885ROS1 43/4885MARK3 1652/4885
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR1, TGFBR2, ACVR1 CHEK2 177/4885ROS1 495/4885MARK3 2399/4885

“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.