SCHEMBL18860740

SCHEMBL18860740

COc1ncc(Br)cc1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.42
SQOR Q9Y6N5 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CCR4 P51679 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
MAP4K4 O95819 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KIT P10721 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
SCHEMBL16044274 0.83 CTSA (0.45) CTSAMEN1KMT2AMAPTCCR4
SCHEMBL28613471 0.78 MAP4K4 (0.61) CTSASQORMEN1KMT2AMAPT
SCHEMBL16554974 0.76 CTSA (0.56) CTSAFFAR4MAP4K4
SCHEMBL30791383 0.76 CTSA (0.56) CTSAFFAR4MAP4K4
SCHEMBL17450942 0.75 MAPT (0.45) NPSR1MEN1KMT2AMAPTCCR4
SCHEMBL30791358 0.75 CTSA (0.55) CTSAFFAR4MAPT
SCHEMBL28642445 0.75 CTSA (0.55) CTSAFFAR4MAPT
SCHEMBL17450641 0.74 CNR2 (0.41) MEN1KMT2AS1PR1S1PR3MAPT
SCHEMBL322097 0.73 PLAU (0.42) MEN1KMT2AMAPTCCR4DYRK1B
SCHEMBL17450990 0.72 S1PR3 (0.44) MEN1KMT2AS1PR1S1PR3MAPT

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
CN-105330595-B pyridine derivatives and their use as antimycobacterial agents 上海嘉坦医药科技有限公司 2019-12-10 CN disclosed
EP-3170810-B1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF CISEN PHARMACEUTICAL CO LTD (CN) 2018-09-19 EP 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
EP-3170810-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF Cisen Pharmaceutical Co. Ltd. (CN) 2017-05-24 EP disclosed
CN-105330595-A Pyridine derivative and application thereof to mycobacterium resistance NANJING MINGDE DRUG R & D CO LTD 2016-02-17 CN 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 CTSA 1580/4885SQOR 99/4885FFAR4 3747/4885

“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.