SCHEMBL2589415

SCHEMBL2589415

COc1cc(C2CCN(C)CC2)ccc1NC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.63
PDE4B Q07343 5/20 0.47
PDE4A P27815 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
CCR5 P51681 1/20 0.47
EGFR P00533 3/20 0.47
TTK P33981 2/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
INSR P06213 1/20 0.45
NPM1 P06748 1/20 0.45
ALK Q9UM73 1/20 0.45
MAPK7 Q13164 1/20 0.45
FLT4 P35916 1/20 0.45
PTK2 Q05397 1/20 0.45

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
SCHEMBL1784640 0.90 QDPR (0.63) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL1781447 0.84 QDPR (0.56) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL12179659 0.84 QDPR (0.50) QDPRFLT4PTK2
SCHEMBL18310126 0.81 QDPR (0.66) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL3316510 0.80 QDPR (0.52) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL16992037 0.80 QDPR (0.64) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL3743608 0.79 MAPT (0.51) QDPR
SCHEMBL3503526 0.77 EGFR (0.61) EGFRALK
SCHEMBL18764021 0.76 EGFR (0.49) QDPRPDE4BCCR5EGFR
SCHEMBL3731033 0.76 SLC18A3 (0.66) QDPR

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-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. 2016-05-19 US disclosed
US-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. 2016-05-19 US disclosed
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. 2013-05-30 US disclosed
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. 2013-05-30 US disclosed
WO-2011140338-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. (US) 2011-11-10 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-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 QDPR 3069/4885PDE4B 2391/4885PDE4A 1972/4885
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith EGFR, ERBB2, BRCA1 QDPR 3069/4885PDE4B 2391/4885PDE4A 1972/4885

“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.