SCHEMBL17450641

SCHEMBL17450641

COc1ncc(Br)cc1Cc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
CCR5 P51681 6/20 0.41
MAPK1 P28482 3/20 0.41
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 1/20 0.37
GPR18 Q14330 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL6377288 0.86 CYP11B1 (0.41) GPR55MAPT
SCHEMBL17450759 0.79 MAPT (0.51) CNR2MAPK1TSHRMEN1KMT2A
SCHEMBL17450635 0.77 MAPT (0.49) MAPK1TSHRMEN1KMT2ALMNA
SCHEMBL5779592 0.76 CNR2 (0.36) CNR2MEN1KMT2ALMNAALDH1A1
SCHEMBL2821870 0.75 MAPK1 (0.43) CNR2CCR5MAPK1TSHRMEN1
SCHEMBL23363880 0.74 CNR2 (0.37) CNR2KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL29934730 0.74 CNR2 (0.37) CNR2KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL15053030 0.74 CNR2 (0.37) CNR2MAPK1MEN1KMT2AL3MBTL1
SCHEMBL18860740 0.74 CTSA (0.42) MEN1KMT2AL3MBTL1S1PR1S1PR3
SCHEMBL3890669 0.74 CCR5 (0.54) CCR5MAPK1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878982-B2 Pyridine derivatives and anti-mycobacterial use thereof CISEN PHARMACEUTICAL CO., LTD. (CN) 2018-01-30 US disclosed
US-9878982-B2 Pyridine derivatives and anti-mycobacterial use thereof CISEN PHARMACEUTICAL CO., LTD. (CN) 2018-01-30 US disclosed
US-20170174628-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF CISEN PHARMACEUTICAL CO., LTD. (CN) 2017-06-22 US disclosed
US-20170174628-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF CISEN PHARMACEUTICAL CO., LTD. (CN) 2017-06-22 US disclosed
EP-3170810-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF Cisen Pharmaceutical Co. Ltd. (CN) 2017-05-24 EP disclosed
WO-2016008381-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF 辰欣药业股份有限公司 2016-01-21 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-20170174628-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF ME3, SSBP1, MDH2 CNR2 2513/4885CCR5 1699/4885MAPK1 728/4885

“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.