SCHEMBL2881698

SCHEMBL2881698

Clc1nc2ccc(Br)cc2c2c(Cl)nccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NT5E P21589 1/20 0.43
HIPK2 Q9H2X6 1/20 0.40
SLC22A12 Q96S37 2/20 0.39
ADORA2A P29274 1/20 0.38
BCHE P06276 4/20 0.37
ACHE P22303 4/20 0.37
GRIN1 Q05586 4/20 0.37
GRIN2A Q12879 4/20 0.37
CASP3 P42574 2/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 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
SCHEMBL2877424 0.81 DHODH (0.39) HIPK2SLC22A12BCHEACHEGRIN1
SCHEMBL2459570 0.81 HTT (0.38) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2864926 0.77 JAK2 (0.43) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2860230 0.76 NT5E (0.38) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2880111 0.73 JAK2 (0.36) HTTHIPK2SLC22A12ALDH1A1SMN1; SMN2
SCHEMBL515743 0.73 HTT (0.50) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4742035 0.72 SLC22A12 (0.40) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL182719 0.72 HTT (0.68) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29439750 0.72 PLAU (0.51) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL629963 0.72 PLAU (0.51) HTTCYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 US disclosed
US-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 US disclosed
US-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 US disclosed
EP-2200612-B1 INHIBITORS OF JANUS KINASES SCHERING CORP (US) 2012-08-08 EP disclosed
EP-2200612-B1 INHIBITORS OF JANUS KINASES SCHERING CORP (US) 2012-08-08 EP disclosed
US-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 US disclosed
US-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 US disclosed
US-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 US disclosed
EP-2200612-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-06-30 EP disclosed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 WO disclosed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 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-20100197634-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 HTT 2118/4885CYP1A2 3942/4885CYP2D6 4014/4885

“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.