SCHEMBL10097464

SCHEMBL10097464

C=CCNC(=O)Nc1ccc(-c2c(N)c3ccc(OC(F)F)cc3n2CC)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.35
AURKA O14965 2/20 0.35
MAP4K4 O95819 2/20 0.35
ABL1 P00519 2/20 0.35
NTRK1 P04629 2/20 0.35
LCK P06239 2/20 0.35
FYN P06241 2/20 0.35
CSF1R P07333 2/20 0.35
RET P07949 2/20 0.35
IGF1R P08069 2/20 0.35
MET P08581 2/20 0.35
FGFR1 P11362 2/20 0.35
FLT1 P17948 2/20 0.35
KDR P35968 2/20 0.35
MAPK9 P45984 2/20 0.35
RPS6KA3 P51812 2/20 0.35
NEK2 P51955 2/20 0.35
PTK2 Q05397 2/20 0.35
BTK Q06187 2/20 0.35
MAP4K2 Q12851 2/20 0.35

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
SCHEMBL12109162 0.89 KMT2A (0.39) KDRLMNAHTTMAPTMEN1
SCHEMBL13152657 0.89 GSK3B (0.37) GSK3BAURKAMAP4K4ABL1NTRK1
SCHEMBL10097408 0.88 ALDH1A1 (0.38) AURKALMNAHTTGAAMAPT
SCHEMBL10097437 0.88 HDAC1 (0.41) KDRLMNAHTTMAPTMEN1
SCHEMBL10096426 0.87 PFKFB2 (0.38) METKDRLMNAHTTGAA
SCHEMBL13152716 0.87 SMN1; SMN2 (0.35) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13151819 0.86 LMNA (0.37) GSK3BAURKAMAP4K4ABL1NTRK1
SCHEMBL14467737 0.86 ALDH1A1 (0.38) LMNAHTTGAAMAPTMEN1
SCHEMBL13152678 0.85 ALDH1A1 (0.38) HTTGAAMAPTMEN1KMT2A
SCHEMBL13152745 0.83 HPGD (0.41) KDRMAPTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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 (1 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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GSK3B 1032/4885AURKA 4312/4885MAP4K4 3460/4885

“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.