SCHEMBL771611

SCHEMBL771611

N#Cc1ccc2c(-c3ccccc3)c[nH]c2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.55
GRM5 P41594 1/20 0.48
CDC7 O00311 3/20 0.46
AXL P30530 1/20 0.45
CDK8 P49336 1/20 0.45
TNIK Q9UKE5 1/20 0.45
LRRK2 Q5S007 3/20 0.45
JAK2 O60674 2/20 0.43
CLK2 P49760 2/20 0.43
CDK5 Q00535 2/20 0.43
DYRK1A Q13627 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
PLK4 O00444 1/20 0.43
AURKA O14965 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PRKCG P05129 1/20 0.43
INSR P06213 1/20 0.43
CDK1 P06493 1/20 0.43

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
SCHEMBL20846353 0.77 CDK2 (0.48) CAMKK2CDC7MAP4K4CDK1CDK2
SCHEMBL24584137 0.77 CAMKK2 (0.47) CAMKK2CDC7LRRK2DYRK1ACDK2
SCHEMBL30204138 0.73 AXL (0.44) CAMKK2AXLLRRK2CDK5DYRK1A
SCHEMBL21178475 0.73 AXL (0.44) CAMKK2AXLLRRK2CDK5DYRK1A
SCHEMBL24584136 0.73 CAMKK2 (0.44) CAMKK2LRRK2ROCK2CDK2
SCHEMBL29956652 0.72 AXL (0.45) CAMKK2CDC7AXLCDK8TNIK
SCHEMBL13045978 0.72 DYRK1A (0.76) CAMKK2AXLCDK8TNIKJAK2
SCHEMBL30725493 0.71 RPS6KA5 (0.61) CAMKK2LRRK2CDK2
SCHEMBL29174690 0.71 RPS6KA5 (0.61) CAMKK2LRRK2CDK2
SCHEMBL29958275 0.70 KMT2A (0.49) CAMKK2CDK2IMPDH2

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 CAMKK2 4477/4885GRM5 4000/4885CDC7 1844/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CAMKK2 4477/4885GRM5 4000/4885CDC7 1844/4885

“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.