SCHEMBL212491

SCHEMBL212491

O=[N+]([O-])c1c(Cl)nc2ccccc2c1NCc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 3/20 0.59
ATM Q13315 1/20 0.59
ALDH1A1 P00352 6/20 0.52
EGFR P00533 1/20 0.51
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 3/20 0.50
CYP2C19 P33261 3/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
USP2 O75604 1/20 0.50
PDE5A O76074 4/20 0.49
POLB P06746 2/20 0.49
CYP2C9 P11712 1/20 0.49
HSD17B10 Q99714 1/20 0.48
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
RAD52 P43351 1/20 0.47

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
SCHEMBL212307 0.91 EGFR (0.60) KMT2AMEN1ATMALDH1A1EGFR
SCHEMBL24733042 0.89 PDE5A (0.52) KMT2AMEN1ATMALDH1A1EGFR
SCHEMBL29809087 0.89 PDE5A (0.52) KMT2AMEN1ATMALDH1A1EGFR
SCHEMBL8122688 0.87 EGFR (0.56) KMT2AMEN1ATMALDH1A1EGFR
SCHEMBL28802645 0.82 EGFR (0.49) KMT2AMEN1ATMALDH1A1EGFR
SCHEMBL5075536 0.82 EGFR (0.56) KMT2AMEN1ALDH1A1EGFRCYP3A4
SCHEMBL5075541 0.82 EGFR (0.56) KMT2AMEN1ALDH1A1EGFRCYP3A4
SCHEMBL211900 0.81 EGFR (0.48) KMT2AMEN1ALDH1A1EGFRMAPK1
SCHEMBL211899 0.81 EGFR (0.48) KMT2AMEN1ALDH1A1EGFRMAPK1
SCHEMBL3961147 0.81 MAPT (0.57) KMT2AALDH1A1EGFRMAPK1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948173-B1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2013-07-17 EP disclosed
US-8377957-B2 Hydroxy and alkoxy substituted 1H-imidazoquinolines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-19 US disclosed
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2012-03-22 US disclosed
US-8088790-B2 Hydroxy and alkoxy substituted 1H-imidazoquinolines and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed
US-20090221556-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS PFIZER INC. 2009-09-03 US disclosed
CN-101309687-A Hydroxy and alkoxy substituted 1h-imidazoquinolines and methods COLEY PHARM GROUP INC (US) 2008-11-19 CN disclosed
EP-1948173-A2 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS Coley Pharmaceutical Group, Inc. (US) 2008-07-30 EP disclosed
WO-2007056112-A2 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-05-18 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 (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-20090221556-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 KMT2A 2108/4885MEN1 3863/4885ATM 3443/4885
US-20120071463-A1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS IFNG, IL2, IRF3 KMT2A 2108/4885MEN1 3863/4885ATM 3443/4885

“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.