Sugi Predict

Sugi Predict / Compounds / SCHEMBL3506366

SCHEMBL3506366

SCHEMBL3506366

N#Cc1c[nH]c(=O)c2c1[nH]c1ccc(F)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 2/20 0.50
▸ DYRK1A Q13627 2/20 0.50
▸ CLK2 P49760 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50
▸ DYRK1B Q9Y463 1/20 0.50
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ CDC25A P30304 1/20 0.38
▸ CDC25C P30307 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ DPYD Q12882 1/20 0.37
▸ PGR P06401 2/20 0.37
▸ MPO P05164 2/20 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
SCHEMBL13819201 0.79 CDK5 (0.49) CDK5CDK5R1KDM4EALDH1A1GLA
SCHEMBL3508562 0.79 CDK5 (0.43) CDK5CDK5R1KDM4EALDH1A1GLA
SCHEMBL13819449 0.79 CDK5 (0.43) CDK5CDK5R1KDM4EALDH1A1GLA
SCHEMBL3506412 0.76 CHEK1 (0.52) CLK1DYRK1AKDM4EALDH1A1CDC25A
SCHEMBL3646740 0.73 IMPDH2 (0.56) KDM4EMPOSLC6A4
SCHEMBL3507477 0.72 DYRK1A (0.55) CLK1DYRK1ACLK2CLK4DYRK1B
SCHEMBL5879244 0.70 CHEK1 (0.59) CDK5CDK5R1KDM4EALDH1A1GLA
SCHEMBL9984690 0.69 PARP1 (0.50) DYRK1AKDM4EALDH1A1GLAGAA
SCHEMBL3619648 0.69 JAK2 (0.61) CLK1DYRK1ACLK2CLK4DYRK1B
SCHEMBL797858 0.69 KDM4E (0.50) CLK4KDM4EALDH1A1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231143-B1 5H-pyrido[4,3-b]indoles as INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2013-07-03 — — EP disclosed
EP-2231143-B1 5H-pyrido[4,3-b]indoles as INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2013-07-03 — — EP disclosed
US-8431569-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-04-30 — — US disclosed
US-8431569-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-04-30 — — US disclosed
US-8431569-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-04-30 — — US disclosed
US-20100267709-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-21 — — US disclosed
US-20100267709-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-21 — — US disclosed
US-20100267709-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-21 — — US disclosed
WO-2009075830-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-06-18 — — 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-20100267709-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 CLK1 586/4885DYRK1A 120/4885CLK2 319/4885

“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.