SCHEMBL491000

SCHEMBL491000

COc1ccccc1-c1cc2nccnc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 1.00
CCNB2 O95067 11/20 1.00
CDK1 P06493 11/20 1.00
CCNB1 P14635 11/20 1.00
CCNB3 Q8WWL7 11/20 1.00
GSK3A P49840 10/20 1.00
CDK5 Q00535 10/20 1.00
CDK5R1 Q15078 10/20 1.00
CHUK O15111 1/20 0.54
INSR P06213 1/20 0.54
MAPK8 P45983 1/20 0.54
CAMKK2 Q96RR4 1/20 0.54
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL29913107 1.00 GSK3B (1.00) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL27889519 0.81 CCNB2 (0.68) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL27158570 0.80 CCNB2 (0.67) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL7009747 0.78 CCNB2 (0.63) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL1780075 0.76 CCNB2 (0.67) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL7922293 0.76 CCNB2 (0.61) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL1780850 0.76 CCNB2 (0.71) GSK3BCCNB2CDK1CCNB1CCNB3
Bromide SCHEMBL490800 0.75 CCNB2 (0.97) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL7920467 0.74 CCNB2 (0.59) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL490606 0.74 CCNB2 (1.00) GSK3BCCNB2CDK1CCNB1CCNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1665809-A Azaindoles AVENTIS PHARMA LTD (GB) 2005-09-07 CN claimed
US-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2024-08-08 US disclosed
EP-4329881-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 EP disclosed
WO-2022232383-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2022-11-03 WO disclosed
US-8106050-B2 6-[1-(4-Chlorophenyl)-1-cyclopropyl][5H]pyrrolo[2,3-b]pyrazine; cyclin-dependent kinases and glycogen synthase kinase-3 inhibitor; antiproliferative, anticarcinogenic agent; neurodegenerative disorders; controlling the cell cycle apoptosis, neuronal functions, transcription and exocytosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2012-01-31 US disclosed
CN-100509811-C Azaindoles AVENTIS PHARMA LTD (GB) 2009-07-08 CN disclosed
US-20080161312-A1 Derivatives of Pyrrolo-Pyrazines Having a Kinase Inhibitory Activity and Their Biological Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-07-03 US disclosed
CN-100379734-C Azaindoles AVENTIS PHARMA LTD (GB) 2008-04-09 CN disclosed
CN-1665809-A Azaindoles AVENTIS PHARMA LTD (GB) 2005-09-07 CN disclosed
EP-1388541-A1 Pyrrolopyrazines as kinase inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-02-11 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-20080161312-A1 Derivatives of Pyrrolo-Pyrazines Having a Kinase Inhibitory Activity and Their Biological Applications CDK2, PLK2, CDK5 GSK3B 599/4885CCNB2 173/4885CDK1 39/4885
US-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 GSK3B 491/4885CCNB2 4829/4885CDK1 4414/4885

“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.