SCHEMBL842730

SCHEMBL842730

CC(C)CNc1c([N+](=O)[O-])c(OS(=O)(=O)C(F)(F)F)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.42
EGFR P00533 1/20 0.42
ACP1 P24666 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GLA P06280 2/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL7835993 0.89 EGFR (0.44) TLR7EGFRACP1ALDH1A1HPGD
SCHEMBL7823369 0.85 EGFR (0.44) EGFRMAPTKMT2AMEN1KDM4E
SCHEMBL8114585 0.83 ATM (0.47) EGFRALDH1A1MAPTKMT2AMEN1
SCHEMBL8128780 0.78 MAPT (0.33) MAPTKMT2AMEN1MAPK1TDP1
SCHEMBL842831 0.78 BCHE (0.44) KMT2AMEN1RAB9AGAA
SCHEMBL7824056 0.78 CYP3A4 (0.36) EGFRHPGDMAPTLMNAKMT2A
SCHEMBL8870696 0.77 EGFR (0.47) TLR7EGFRACP1ALDH1A1HPGD
SCHEMBL8122765 0.77 ACHE (0.34) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8121921 0.77 ALDH1A1 (0.34) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL7832227 0.77 EGFR (0.43) TLR7EGFRACP1ALDH1A1HPGD

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
EP-0681570-B1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING & MFG (US) 2001-03-14 EP claimed
EP-0681570-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-11-15 EP claimed
US-5395937-A Process for preparing quinoline amines MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-07 US claimed
WO-1994017043-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-08-04 WO claimed
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
EP-1784180-A4 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
EP-1784180-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-16 EP disclosed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed
EP-0681570-B1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING & MFG (US) 2001-03-14 EP disclosed
EP-0681570-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-11-15 EP disclosed
US-5395937-A Process for preparing quinoline amines MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-07 US disclosed
WO-1994017043-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-08-04 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-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 TLR7 110/4885EGFR 3500/4885ACP1 1948/4885

“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.