SCHEMBL12371121

SCHEMBL12371121

C=CC(=O)Nc1cccc(-c2csc3cnc(Nc4ccc(N5CCN(C)CC5)cc4C)nc23)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.67
KDR P35968 2/20 0.67
EGFR P00533 12/20 0.61
JAK2 O60674 3/20 0.58
BRD4 O60885 1/20 0.58
FGFR2 P21802 2/20 0.56
BTK Q06187 3/20 0.56
JAK3 P52333 5/20 0.54
PTK2 Q05397 2/20 0.52
FLT3 P36888 2/20 0.52
BLK P51451 2/20 0.52
ITK Q08881 2/20 0.52
PLK4 O00444 1/20 0.52
GAK O14976 1/20 0.52
NUAK1 O60285 1/20 0.52
BMX P51813 1/20 0.52
CTSC P53634 1/20 0.52
ERBB4 Q15303 1/20 0.52
DCLK3 Q9C098 1/20 0.52
NUAK2 Q9H093 1/20 0.52

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
SCHEMBL2267020 0.91 JAK3 (0.65) FGFR1KDREGFRJAK2BTK
SCHEMBL12371127 0.90 FGFR1 (0.57) FGFR1KDREGFRJAK2BRD4
SCHEMBL12371236 0.84 JAK2 (0.58) JAK2BRD4JAK3PTK2JAK1
SCHEMBL12398988 0.84 FGFR1 (0.55) FGFR1KDREGFRJAK2BRD4
SCHEMBL1674146 0.82 PTK2 (0.72) EGFRJAK2BRD4FGFR2BTK
SCHEMBL12371233 0.81 PTK2 (0.67) EGFRJAK2BRD4JAK3PTK2
SCHEMBL16513910 0.80 FGFR1 (1.00) FGFR1KDREGFRJAK2BRD4
SCHEMBL29848133 0.80 FGFR1 (1.00) FGFR1KDREGFRJAK2BRD4
SCHEMBL29848059 0.80 FGFR1 (0.83) FGFR1KDREGFRJAK2BRD4
SCHEMBL16514160 0.80 FGFR1 (0.83) FGFR1KDREGFRJAK2BRD4

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 FGFR1 69/4885KDR 414/4885EGFR 1/4885
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 FGFR1 69/4885KDR 414/4885EGFR 1/4885

“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.