SCHEMBL3503232

SCHEMBL3503232

COc1nccc2c(Nc3c(Cl)cc(C4(C)OCCO4)cc3Cl)nc3ccc(Br)cc3c12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.32
GAK O14976 1/20 0.32
EPHB6 O15197 1/20 0.32
RIPK2 O43353 1/20 0.32
STK16 O75716 1/20 0.32
ABL1 P00519 1/20 0.32
ACVR1 Q04771 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
COQ8A Q8NI60 1/20 0.32
NLK Q9UBE8 1/20 0.32
PDE5A O76074 3/20 0.31
TNF P01375 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
JAK2 O60674 2/20 0.30
CSNK2A1 P68400 1/20 0.30
HIPK2 Q9H2X6 1/20 0.30

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
SCHEMBL3503162 0.84 JAK2 (0.42) THRBGAKEPHB6RIPK2STK16
SCHEMBL2868701 0.83 GAK (0.35) THRBGAKEPHB6RIPK2STK16
SCHEMBL2878274 0.78 JAK2 (0.42) JAK2CSNK2A1
SCHEMBL3503529 0.78 JAK2 (0.49) THRBGAKEPHB6RIPK2STK16
SCHEMBL2860230 0.70 NT5E (0.38) TNFCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2874423 0.69 JAK2 (0.49) JAK2CSNK2A1
SCHEMBL2876153 0.67 JAK2 (0.47) JAK2CSNK2A1
SCHEMBL2879219 0.67 JAK2 (0.45) JAK2CSNK2A1
SCHEMBL3502330 0.66 JAK2 (0.49) JAK2CSNK2A1
SCHEMBL2877281 0.65 JAK2 (0.49) JAK2CSNK2A1

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 7 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
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

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 THRB 2631/4885GAK 363/4885EPHB6 4788/4885

“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.