SCHEMBL4120086

SCHEMBL4120086

ClC1CCCC(Cl)N1c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.43
ADRB2 P07550 1/20 0.35
NCF1 P14598 1/20 0.35
PLD1 Q13393 1/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
BCHE P06276 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
USP2 O75604 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAOA P21397 1/20 0.31

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
SCHEMBL4661352 0.78 ADRB2 (0.42) CHKAADRB2NCF1PLD1CYP2C19
SCHEMBL25506006 0.75 HRH3 (0.45) CHKAADRB2NCF1PLD1MAPT
SCHEMBL9507055 0.70 CHKA (0.41) CHKAADRB2NCF1PLD1MAPT
SCHEMBL4359676 0.67 TRPA1 (0.41) CHKAMAPTLMNATDP1L3MBTL1
SCHEMBL25506010 0.67 CHKA (0.54) CHKAADRB2NCF1PLD1CYP2C19
SCHEMBL15101965 0.67 CHKA (0.54) CHKAADRB2NCF1PLD1CYP2C19
SCHEMBL6279941 0.64 ITGB3 (0.40) CHKAMAPTBCHEL3MBTL1USP2
SCHEMBL20320110 0.63 CHKA (0.35) CHKAADRB2NCF1PLD1BCHE
SCHEMBL49369 0.62 LMNA (0.39) CHKAADRB2NCF1PLD1MAPT
SCHEMBL25506008 0.61 ADRB2 (0.42) CHKAADRB2NCF1PLD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
EP-1805142-A4 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS INC (US) 2009-06-10 EP disclosed
EP-1805142-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-07-11 EP disclosed
US-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US disclosed
WO-2006034474-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 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-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them LDLR, LRP6, PLPBP CHKA 3236/4885ADRB2 4508/4885NCF1 1685/4885

“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.