SCHEMBL2087226

SCHEMBL2087226

COc1ccnc2[nH]c(C3=C=CC=C3)cc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 2/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ CCNB1 P14635 2/20 0.42
▸ GSK3A P49840 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ CCNB3 Q8WWL7 2/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ CCNT1 O60563 16/20 0.39
▸ CDK9 P50750 16/20 0.39
▸ CHUK O15111 1/20 0.39
▸ INSR P06213 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ CAMKK2 Q96RR4 1/20 0.39

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
SCHEMBL2086751 0.79 JAK2 (0.33) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL31660993 0.74 IKBKB (0.43) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL3201184 0.74 IKBKB (0.43) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL2239570 0.69 CDK9 (0.54) GSK3BCDK5CDK5R1CCNT1CDK9
SCHEMBL2087223 0.68 CCNT1 (0.53) CCNT1CDK9
SCHEMBL3207585 0.66 NUDT1 (0.49) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL29953115 0.66 CCNT1 (0.39) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL1779530 0.65 MAP3K14 (0.53) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL3262305 0.65 KDM4E (0.59) CCNT1CDK9CHUKINSRMAPK8
SCHEMBL7975640 0.65 GLA (0.48) CHUKINSRMAPK8CAMKK2

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 CCNB2 1604/4885CDK1 200/4885CCNB1 1737/4885
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF MLKL, PARP3, PARP1 CCNB2 1604/4885CDK1 200/4885CCNB1 1737/4885

“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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