SCHEMBL2085336

SCHEMBL2085336

Clc1ccnc2[nH]c(C3=CCCC3)cc12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 16/20 0.47
▸ CDC7 O00311 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ CCNT1 O60563 15/20 0.46
▸ CSF1R P07333 2/20 0.44
▸ KIT P10721 2/20 0.41

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
SCHEMBL5663694 0.81 CDK9 (0.68) CDK9CCNT1
Hydrochloric Acid SCHEMBL5662221 0.80 CDK9 (0.67) CDK9CCNT1
SCHEMBL2086749 0.80 CSF1R (0.49) CDK9CCNT1CSF1RKIT
SCHEMBL2087223 0.80 CCNT1 (0.53) CDK9CCNT1
SCHEMBL29431058 0.78 CDK9 (0.59) CDK9CDC7PIM1CCNT1
SCHEMBL5663907 0.74 CCNT1 (0.53) CDK9CCNT1
SCHEMBL2085349 0.74 RIPK1 (0.50) —
SCHEMBL15586779 0.73 CCNT1 (0.52) CDK9CCNT1
SCHEMBL17534989 0.73 CCNT1 (0.76) CDK9CCNT1
SCHEMBL16546258 0.72 CDK9 (0.48) CDK9CDC7PIM1CCNT1

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 CDK9 273/4885CDC7 632/4885PIM1 396/4885
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF MLKL, PARP3, PARP1 CDK9 273/4885CDC7 632/4885PIM1 396/4885

“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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