SCHEMBL1683456

SCHEMBL1683456

COc1cnc2c(c1)cc(C)n2S(=O)(=O)c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ESR1 P03372 1/20 0.36
ATM Q13315 1/20 0.36
ESR2 Q92731 1/20 0.36
PTGER4 P35408 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 2/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 2/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL1683406 0.85 HTR6 (0.46) KDM4EMEN1KMT2ASMN1; SMN2PKM
SCHEMBL1683455 0.80 KDM4E (0.44) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL22494274 0.72 HTR6 (0.44) KDM4EMEN1KMT2APKMALDH1A1
SCHEMBL28663984 0.71 GAK (0.42) KDM4EMEN1KMT2ASMN1; SMN2PKM
SCHEMBL23916331 0.71 NPC1 (0.46) KDM4EMEN1KMT2ASMN1; SMN2PKM
SCHEMBL25942285 0.69 CYP11B1 (0.36) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14217529 0.68 PDE10A (0.34) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28353289 0.68 PIK3CA (0.36) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL23147752 0.67 NOD2 (0.47) KDM4EMEN1KMT2ASMN1; SMN2PKM
SCHEMBL14520267 0.67 PTGDR2 (0.45) KDM4EMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539763-B1 AZAINDOLE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-04-13 EP disclosed
US-20060058304-A1 Azaindole kinase inhibitors BHIDE RAJEEV S 2006-03-16 US disclosed
US-6969717-B2 Azaindole kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-29 US disclosed
US-20040063707-A1 Azaindole kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 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-20040063707-A1 Azaindole kinase inhibitors FGFR1, FGFR2, FLT1 KEAP1 2369/4885KDM4E 830/4885MEN1 2375/4885
US-20060058304-A1 Azaindole kinase inhibitors FGFR1, FGFR2, FLT1 KEAP1 2371/4885KDM4E 842/4885MEN1 2526/4885

“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.