SCHEMBL2086751

SCHEMBL2086751

CN(C)c1ccnc2[nH]c(C3=C=CC=C3)cc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ ROCK2 O75116 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ CDC42BPA Q5VT25 1/20 0.32
▸ CDC42BPB Q9Y5S2 1/20 0.32
▸ CSF1R P07333 1/20 0.31
▸ CHUK O15111 2/20 0.31
▸ INSR P06213 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ CAMKK2 Q96RR4 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31

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
SCHEMBL2087226 0.79 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL2086749 0.68 CSF1R (0.49) CSF1RCCNT1CDK9
SCHEMBL2086494 0.67 JAK2 (0.60) JAK2JAK1JAK3ROCK2ROCK1
SCHEMBL1837490 0.59 CHEK1 (0.51) JAK2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL4578397 0.57 CCR1 (0.50) ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL3951853 0.56 ROCK2 (0.35) ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL9172371 0.56 DYRK1A (0.55) GSK3BROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL3415638 0.55 CDK9 (0.48) CCNB2CDK1CCNB1CCNB3AURKA
SCHEMBL13507207 0.55 IKBKB (0.46) JAK2GSK3AGSK3BCSF1RCHUK
SCHEMBL31420487 0.54 IKBKB (0.45) CHUKAURKAAURKBCDK9IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716493-B2 Multicyclic compounds and the use thereof CEPHALON, INC. (US) 2014-05-06 — — US disclosed
EP-2066324-B1 CYCLOALKANOPYROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON INC (US) 2013-05-29 — — EP disclosed
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF CEPHALON, INC. (US) 2011-03-10 — — US disclosed
EP-2066324-A2 CYCLOALKANOPYROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON, INC. (US) 2009-06-10 — — EP disclosed
WO-2007149451-A2 CYCLOALKANOPYRROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON, INC. (US) 2007-12-27 — — WO disclosed
US-20060276497-A1 Novel multicyclic compounds and the use thereof CEPHALON, INC. (US) 2006-12-07 — — 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 (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-20060276497-A1 Novel multicyclic compounds and the use thereof MLKL, PARP3, PARP1 JAK2 247/4885JAK1 826/4885JAK3 368/4885
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF MLKL, PARP3, PARP1 JAK2 247/4885JAK1 826/4885JAK3 368/4885

“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.

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