SCHEMBL842812

SCHEMBL842812

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
KMT2A Q03164 5/20 0.40
MAPT P10636 5/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 3/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 2/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
MAOA P21397 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL14950224 0.90 EGFR (0.47) EGFRKMT2AMAPTMEN1KDM4E
SCHEMBL4374732 0.88 EGFR (0.45) EGFRKMT2AMAPTMEN1KDM4E
SCHEMBL3170951 0.88 EGFR (0.47) EGFRKMT2AMAPTMEN1KDM4E
SCHEMBL6722326 0.83 EGFR (0.41) EGFRKMT2AMAPTMEN1KDM4E
SCHEMBL842241 0.83 EGFR (0.41) EGFRKMT2AMAPTMEN1KDM4E
SCHEMBL12744367 0.81 EGFR (0.47) EGFRKMT2AMAPTMEN1KDM4E
SCHEMBL2744402 0.81 MEN1 (0.47) EGFRKMT2AMAPTMEN1KDM4E
SCHEMBL1457279 0.81 ACHE (0.48) EGFRKMT2AMAPTMEN1KDM4E
SCHEMBL8870696 0.81 EGFR (0.47) EGFRKMT2AMAPTMEN1KDM4E
SCHEMBL212307 0.80 EGFR (0.60) EGFRKMT2AMAPTMEN1KDM4E

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-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

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 EGFR 3500/4885KMT2A 1860/4885MAPT 4419/4885

“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.