SCHEMBL4488408

SCHEMBL4488408

Cc1ccc(-c2cn(C)c3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.58
CCNE2 O96020 1/20 0.51
CDK4 P11802 1/20 0.51
CCND1 P24385 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.50
GSK3B P49841 2/20 0.50
ASH1L Q9NR48 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CCNT1 O60563 1/20 0.50
CDK9 P50750 1/20 0.50

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
SCHEMBL1310255 0.86 IMPDH2 (0.64) IMPDH2CCNE2CDK4CCND1CCNE1
SCHEMBL9300549 0.84 IMPDH2 (0.57) IMPDH2CCNE2CDK4CCND1CCNE1
SCHEMBL28241926 0.84 IMPDH2 (0.57) IMPDH2CCNE2CDK4CCND1CCNE1
SCHEMBL3131200 0.80 IMPDH2 (0.57) IMPDH2CCNE2CDK4CCND1CCNE1
SCHEMBL28271167 0.80 IMPDH2 (0.53) IMPDH2CCNE2CDK4CCND1CCNE1
SCHEMBL17067737 0.79 SCN9A (0.52) IMPDH2L3MBTL1ALDH1A1GSK3BASH1L
SCHEMBL12260497 0.78 IMPDH2 (0.50) IMPDH2CCNE2CDK4CCND1CCNE1
SCHEMBL31517819 0.77 GSK3B (0.49) IMPDH2CDK2L3MBTL1GSK3BRAB9A
SCHEMBL17282297 0.76 DYRK1A (0.79) GSK3BSCN9A
SCHEMBL4847619 0.75 IMPDH2 (0.55) IMPDH2CCNE2CDK4CCND1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635781-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2009-12-22 US disclosed
US-7635781-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2009-12-22 US disclosed
US-7635781-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2009-12-22 US disclosed
US-20080287692-A1 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2008-11-20 US disclosed
US-20080287692-A1 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2008-11-20 US disclosed
US-20080287692-A1 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2008-11-20 US disclosed
EP-1387827-B1 SYNTHESIS OF CYCLOPENTADIENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2008-09-24 EP disclosed
EP-1387827-B1 SYNTHESIS OF CYCLOPENTADIENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2008-09-24 EP disclosed
US-7253292-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2007-08-07 US disclosed
US-7253292-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2007-08-07 US disclosed
US-7253292-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2007-08-07 US disclosed
US-20040236115-A1 Synthesis of cyclopentadiene derivatives EQUISTAR CHEMICALS, LP 2004-11-25 US disclosed
EP-1387827-A2 SYNTHESIS OF CYCLOPENTADIENE DERIVATIVES Basell Polyolefine GmbH (DE) 2004-02-11 EP disclosed
WO-2002092564-A2 SYNTHESIS OF CYCLOPENTADIENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2002-11-21 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-20040236115-A1 Synthesis of cyclopentadiene derivatives CYCS, DHPS, CBR1 IMPDH2 1278/4885CCNE2 370/4885CDK4 33/4885
US-20080287692-A1 Synthesis of cyclopentadiene derivatives CYCS, CYC1, CBR1 IMPDH2 3451/4885CCNE2 19/4885CDK4 452/4885

“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.