SCHEMBL3623711

SCHEMBL3623711

Cn1cc(-c2ccc3c(c2)c2c(=O)[nH]ccc2c2[nH]c(C4CCCC4)nc32)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.49
PRMT5 O14744 2/20 0.42
WDR77 Q9BQA1 2/20 0.42
ACVR1 Q04771 1/20 0.41
JAK2 O60674 7/20 0.40
KCNH2 Q12809 2/20 0.40
BRD4 O60885 2/20 0.39
MET P08581 1/20 0.39
JAK3 P52333 5/20 0.38
AURKB Q96GD4 2/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
IKBKB O14920 1/20 0.38
MAPK13 O15264 1/20 0.38
DAPK3 O43293 1/20 0.38
PRKD3 O94806 1/20 0.38
FYN P06241 1/20 0.38
RET P07949 1/20 0.38
HCK P08631 1/20 0.38
PDGFRB P09619 1/20 0.38

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
SCHEMBL3614243 0.85 CHEK1 (0.43) CHEK1JAK2JAK3AURKBJAK1
SCHEMBL3621441 0.83 ROCK2 (0.53) CHEK1ACVR1JAK2ROCK1
SCHEMBL3610806 0.82 CHEK1 (0.39) CHEK1JAK2KCNH2BRD4JAK3
SCHEMBL3620243 0.81 CHEK1 (0.51) CHEK1PRMT5WDR77ACVR1JAK2
SCHEMBL3616391 0.81 CHEK1 (0.40) CHEK1JAK2JAK3AURKBJAK1
SCHEMBL13558239 0.80 CHEK1 (0.41) CHEK1JAK2JAK3AURKBJAK1
SCHEMBL5759875 0.80 JAK2 (0.56) CHEK1JAK2JAK3AURKBJAK1
SCHEMBL3620725 0.80 PIM1 (0.43) CHEK1JAK2JAK3AURKBJAK1
SCHEMBL3624159 0.79 BRD4 (0.46) BRD4CREBBP
SCHEMBL5762175 0.79 JAK2 (0.55) CHEK1JAK2JAK3AURKBJAK1

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
EP-2032141-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-31 EP claimed
US-7763634-B2 Inhibitors of janus kinases MERCK & CO., INC. (US) 2010-07-27 US claimed
US-20090306071-A1 Inhibitors of Janus Kinases MERCK SHARP & DOHME LLC 2009-12-10 US claimed
EP-2032141-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-31 EP disclosed
US-7763634-B2 Inhibitors of janus kinases MERCK & CO., INC. (US) 2010-07-27 US disclosed
US-7763634-B2 Inhibitors of janus kinases MERCK & CO., INC. (US) 2010-07-27 US disclosed
US-7763634-B2 Inhibitors of janus kinases MERCK & CO., INC. (US) 2010-07-27 US disclosed
US-20090306071-A1 Inhibitors of Janus Kinases MERCK SHARP & DOHME LLC 2009-12-10 US disclosed
US-20090306071-A1 Inhibitors of Janus Kinases MERCK SHARP & DOHME LLC 2009-12-10 US disclosed
US-20090306071-A1 Inhibitors of Janus Kinases MERCK SHARP & DOHME LLC 2009-12-10 US disclosed
WO-2007145957-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2007-12-21 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-20090306071-A1 Inhibitors of Janus Kinases JAK2, JAK3, JAK1 CHEK1 740/4885PRMT5 1079/4885WDR77 1850/4885

“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.