SCHEMBL6319477

SCHEMBL6319477

O=C1Nc2ccccc2C1=C(Nc1cccc(C(=O)O)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NR1H4 Q96RI1 1/20 0.44
RAB9A P51151 4/20 0.44
MAP2K7 O14733 2/20 0.44
CDC25B P30305 2/20 0.44
MAPK1 P28482 2/20 0.44
NSD2 O96028 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CDC25A P30304 1/20 0.44
HTT P42858 1/20 0.44
MCL1 Q07820 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL6319473 1.00 GSK3B (0.47) GSK3BKMT2AMEN1MAPTPOLB
SCHEMBL6319465 0.90 PARP1 (0.45) KMT2AMEN1
SCHEMBL6321984 0.90 PARP1 (0.45) KMT2AMEN1
SCHEMBL6327561 0.88 KMT2A (0.43) KMT2AMEN1POLBTDP1NR1H4
SCHEMBL6326726 0.88 KMT2A (0.43) KMT2AMEN1POLBTDP1NR1H4
SCHEMBL6320376 0.88 KDR (0.48) KMT2AMEN1MAPTTDP1MAPK1
SCHEMBL6320369 0.88 KDR (0.48) KMT2AMEN1MAPTTDP1MAPK1
SCHEMBL6319362 0.88 CHEK1 (0.44) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL6319369 0.88 CHEK1 (0.44) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL4494064 0.87 RAB9A (0.50) GSK3BKMT2AMEN1MAPTNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP disclosed
EP-1115704-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-07-18 EP disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 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 (1 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 GSK3B 231/4885KMT2A 750/4885MEN1 3345/4885

“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.