SCHEMBL3507477

SCHEMBL3507477

N#Cc1cnc(Cl)c2c1[nH]c1ccc(F)cc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.55
CLK1 P49759 1/20 0.55
CLK2 P49760 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
DYRK1B Q9Y463 1/20 0.55
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
JAK2 O60674 11/20 0.42
JAK3 P52333 1/20 0.42
METAP2 P50579 1/20 0.40
ACHE P22303 1/20 0.38
CYP11B2 P19099 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL3619648 0.81 JAK2 (0.61) DYRK1ACLK1CLK2CLK4DYRK1B
SCHEMBL13503455 0.81 DYRK1A (0.51) DYRK1ACLK1CLK2CLK4DYRK1B
SCHEMBL13819048 0.80 KDM4E (0.52) DYRK1ACLK1CLK2CLK4DYRK1B
SCHEMBL3621428 0.80 KDM4E (0.52) DYRK1ACLK1CLK2CLK4DYRK1B
SCHEMBL3506632 0.78 DYRK1A (0.46) DYRK1ACLK1CLK2CLK4DYRK1B
SCHEMBL3506822 0.77 DYRK1A (0.48) DYRK1ACLK1CLK2CLK4DYRK1B
SCHEMBL18132018 0.76 JAK2 (0.56) ALDH1A1KDM4EMAPTMAPK1JAK2
SCHEMBL3612047 0.76 JUN (0.43) MAPT
SCHEMBL18132112 0.75 JAK2 (0.71) ALDH1A1KDM4EMAPTMAPK1JAK2
SCHEMBL3507052 0.74 JAK2 (0.51) DYRK1ACLK1CLK2CLK4DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 US 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
EP-1954290-B1 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK SHARP & DOHME (US) 2012-07-25 EP disclosed
EP-1954290-B1 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK SHARP & DOHME (US) 2012-07-25 EP 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
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
EP-1954290-A2 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007061764-A2 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK & CO., INC. (US) 2007-05-31 WO disclosed
WO-2007061764-A2 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK & CO., INC. (US) 2007-05-31 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 (2 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-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases JAK2, JAK3, JAK1 DYRK1A 370/4885CLK1 413/4885CLK2 221/4885
US-20100267709-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 DYRK1A 120/4885CLK1 586/4885CLK2 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.