SCHEMBL2014375

SCHEMBL2014375

O=[N+]([O-])c1cccc(Oc2nc(Cl)nc3ccccc23)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.72
KMT2A Q03164 5/20 0.62
MAPT P10636 4/20 0.62
ALDH1A1 P00352 4/20 0.62
GAA P10253 2/20 0.62
LMNA P02545 1/20 0.62
HPGD P15428 1/20 0.62
POLB P06746 2/20 0.51
OPRK1 P41145 1/20 0.50
PIN1 Q13526 3/20 0.48
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
THRB P10828 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.44
GUSB P08236 1/20 0.44
ELANE P08246 1/20 0.44
F10 P00742 1/20 0.43

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
SCHEMBL12371194 0.82 ABCG2 (0.53) ABCG2KMT2AMAPTALDH1A1GAA
SCHEMBL14914947 0.82 ABCG2 (0.50) ABCG2KMT2AMAPTALDH1A1GAA
SCHEMBL12073508 0.80 ABCG2 (0.47) ABCG2KMT2AMAPTALDH1A1GAA
SCHEMBL15459970 0.80 ABCG2 (0.50) ABCG2KMT2AMAPTALDH1A1GAA
SCHEMBL1706682 0.80 PIN1 (0.59) ABCG2KMT2AMAPTALDH1A1GAA
SCHEMBL3980013 0.80 ABCG2 (0.65) ABCG2KMT2AMAPTALDH1A1GAA
SCHEMBL15147752 0.79 LMNA (0.64) ABCG2KMT2AMAPTALDH1A1LMNA
SCHEMBL23243727 0.76 ABCG2 (0.54) ABCG2KMT2AMAPTALDH1A1GAA
Bicarbonate SCHEMBL1707061 0.76 PIN1 (0.53) ABCG2KMT2AMAPTALDH1A1GAA
SCHEMBL27700652 0.75 KMT2A (0.71) ABCG2KMT2AMAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9879028-B2 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. (US) 2018-01-30 US disclosed
US-9879028-B2 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. (US) 2018-01-30 US disclosed
US-9879028-B2 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. (US) 2018-01-30 US disclosed
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. (US) 2014-01-09 US disclosed
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. (US) 2014-01-09 US disclosed
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. (US) 2014-01-09 US disclosed
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. 2011-08-25 US disclosed
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. 2011-08-25 US disclosed
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. 2011-08-25 US disclosed
WO-2011079231-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH GATEKEEPER PHARMACEUTICAL, INC. (US) 2011-06-30 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-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH EGFR, ERBB2, BRCA1 ABCG2 1564/4885KMT2A 3190/4885MAPT 3622/4885
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 ABCG2 1564/4885KMT2A 3190/4885MAPT 3622/4885

“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.