SCHEMBL4988587

SCHEMBL4988587

NC(=O)Cc1cn(CCCO)c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ICMT O60725 12/20 0.74
CDC25A P30304 1/20 0.56
CNR1 P21554 2/20 0.52
CNR2 P34972 2/20 0.52
MCL1 Q07820 2/20 0.50
PLA2G2A P14555 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL5253839 0.91 ICMT (0.69) ICMTCDC25ACNR2MCL1PLA2G2A
SCHEMBL28370235 0.87 CDC25A (0.73) ICMTCDC25ACNR1CNR2MCL1
SCHEMBL10965765 0.87 ICMT (0.71) ICMTCDC25ACNR2MCL1PLA2G2A
SCHEMBL3667313 0.86 ICMT (0.97) ICMTCDC25ACNR1
SCHEMBL11893393 0.85 ICMT (1.00) ICMTCDC25A
SCHEMBL8086295 0.84 ICMT (0.71) ICMTCDC25ACNR2
SCHEMBL13241404 0.84 ICMT (0.67) ICMTCDC25ACNR1CNR2MCL1
SCHEMBL8088107 0.83 ICMT (0.70) ICMTCDC25AMCL1
SCHEMBL13241409 0.83 ICMT (0.70) ICMTCDC25AMCL1
SCHEMBL10181834 0.82 CDC25A (0.58) ICMTCDC25ACNR1CNR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008117935-A1 NK CELL ACTIVATING MOLECULES, NK CELLS AND PHARMACEUTICAL COMPOSITONS COMPRISING THE SAME INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2008-10-02 WO disclosed
US-7405305-B2 Pyrrole-2, 5dione derivatives and their used as GSK-3 inhibitors ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
EP-1487822-B1 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS LILLY CO ELI (US) 2007-08-01 EP disclosed
US-7109229-B2 Methods and compounds for treating proliferative diseases ELI LILLY AND COMPANY (US) 2006-09-19 US disclosed
US-20050288321-A1 Kinase inhibitors ELI LILLY AND COMPANY 2005-12-29 US disclosed
CN-1639152-A Pyrrole-2, 5-dione derivatives and their use as GSK-3 inhibitors LILLY CO ELI (US) 2005-07-13 CN disclosed
EP-1487822-A2 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS ELI LILLY AND COMPANY (US) 2004-12-22 EP disclosed
EP-1325011-B1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES LILLY CO ELI (US) 2004-05-06 EP disclosed
US-20040048915-A1 Methods and compounds for treating proliferative diseases ENGLER THOMAS ALBERT (US) 2004-03-11 US disclosed
WO-2003076398-A2 PYRROLE-2, 5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-18 WO disclosed
EP-1325011-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2003-07-09 EP disclosed
WO-2002028861-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-04-11 WO disclosed
US-5990319-A REACTING INDOLYL-3-ACETAMIDE WITH INDOLYL-3-GLYOXYL REAGENT ELI LILLY AND COMPANY (US) 1999-11-23 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-20040048915-A1 Methods and compounds for treating proliferative diseases CDK4, CCNI, CCNA1 ICMT 4596/4885CDC25A 56/4885CNR1 1602/4885
US-20050288321-A1 Kinase inhibitors ABL1, MAP3K20, MAP3K19 ICMT 4746/4885CDC25A 340/4885CNR1 3276/4885

“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.