SCHEMBL2040780

SCHEMBL2040780

O=[N+]([O-])c1cccc(Oc2nc(Cl)nn3cccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.45
PIN1 Q13526 3/20 0.43
F10 P00742 1/20 0.41
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
JAK3 P52333 4/20 0.38
BTK Q06187 4/20 0.38
LTA4H P09960 1/20 0.38
PTGS2 P35354 1/20 0.38
EGFR P00533 1/20 0.37

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
SCHEMBL12635481 0.86 F10 (0.45) ABCG2PIN1F10MAPTALDH1A1
SCHEMBL20500742 0.81 PIN1 (0.42) PIN1JAK3BTK
SCHEMBL12371228 0.81 ABCG2 (0.44) ABCG2PIN1F10MAPTALDH1A1
SCHEMBL18414524 0.78 ALDH1A1 (0.51) PIN1MAPTALDH1A1LMNAHPGD
SCHEMBL1706682 0.74 PIN1 (0.59) ABCG2PIN1F10MAPTALDH1A1
SCHEMBL12519771 0.72 PIN1 (0.57) ABCG2PIN1F10MAPTALDH1A1
SCHEMBL21358342 0.72 PIN1 (0.57) ABCG2PIN1F10MAPTALDH1A1
SCHEMBL2014375 0.72 ABCG2 (0.72) ABCG2PIN1F10MAPTALDH1A1
SCHEMBL23243727 0.71 ABCG2 (0.54) ABCG2PIN1F10MAPTALDH1A1
SCHEMBL30672838 0.71 PIN1 (0.64) ABCG2PIN1F10MAPTALDH1A1

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 9 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-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 1564/4885PIN1 2243/4885F10 4570/4885
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 ABCG2 1564/4885PIN1 2243/4885F10 4570/4885

“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.