SCHEMBL12371383

SCHEMBL12371383

C=CC(=O)Nc1cccc(-c2csc3cnc(Nc4ncc(N5CCN(C)CC5)cc4C)cc23)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.48
BTK Q06187 2/20 0.48
FGFR1 P11362 1/20 0.47
KDR P35968 1/20 0.47
JAK3 P52333 4/20 0.47
JAK2 O60674 1/20 0.47
EGFR P00533 10/20 0.46
ERBB2 P04626 2/20 0.43
SRC P12931 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
SCHEMBL12399074 0.91 EGFR (0.49) AURKABTKFGFR1KDRJAK3
SCHEMBL12371127 0.86 FGFR1 (0.57) BTKFGFR1KDRJAK3JAK2
SCHEMBL12635459 0.79 ERBB2 (0.42) AURKABTKFGFR1KDRJAK3
SCHEMBL12371121 0.77 FGFR1 (0.67) BTKFGFR1KDRJAK3JAK2
SCHEMBL12398988 0.77 FGFR1 (0.55) BTKFGFR1KDRJAK3JAK2
SCHEMBL12371102 0.76 EGFR (0.60) BTKJAK3JAK2EGFRSRC
SCHEMBL12371145 0.73 EGFR (0.47) AURKABTKJAK3JAK2EGFR
SCHEMBL19820324 0.72 JAK3 (0.47) BTKFGFR1KDRJAK3JAK2
SCHEMBL12398947 0.72 CTSC (0.59) BTKJAK3JAK2EGFR
SCHEMBL2267020 0.71 JAK3 (0.65) BTKFGFR1KDRJAK3JAK2

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 3 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-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

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 AURKA 2973/4885BTK 147/4885FGFR1 69/4885
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 AURKA 2973/4885BTK 147/4885FGFR1 69/4885

“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.