SCHEMBL6168670

SCHEMBL6168670

Cc1cccc(C(=O)Nc2ccc3cnn(C(=O)OC(C)(C)C)c3c2)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
ITK Q08881 1/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PTPN11 Q06124 1/20 0.40
SCN3A Q9NY46 4/20 0.40
SCN4A P35499 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NOTUM Q6P988 1/20 0.39
ROCK2 O75116 3/20 0.39
BLK P51451 1/20 0.39
ROCK1 Q13464 2/20 0.39
EEF2K O00418 1/20 0.39
MAP4K4 O95819 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3B P49841 1/20 0.39
PRKX P51817 1/20 0.39
NEK4 P51957 1/20 0.39

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
SCHEMBL6169290 0.90 KCNK3 (0.42) EGFRITKMAPTSMN1; SMN2PTPN11
SCHEMBL6168126 0.88 PTPN11 (0.43) EGFRITKMAPTPTPN11SCN3A
SCHEMBL6167971 0.85 RAB9A (0.52) EGFRITKMAPTSMN1; SMN2ALDH1A1
SCHEMBL6171890 0.85 MEN1 (0.50) EGFRITKSMN1; SMN2ALDH1A1NPC1
SCHEMBL6170175 0.83 TP53 (0.51) EGFRITKMAPTSMN1; SMN2NPC1
SCHEMBL28087693 0.82 EGFR (0.46) EGFRITKNOTUMROCK2ROCK1
SCHEMBL6171299 0.81 HTT (0.51) MAPTSMN1; SMN2ALDH1A1RAB9ATHRB
SCHEMBL6171464 0.80 RAB9A (0.48) EGFRITKMAPTSMN1; SMN2ALDH1A1
SCHEMBL6169372 0.79 NR1H4 (0.56) MAPTSMN1; SMN2THRBRXFP1TP53
SCHEMBL6170962 0.77 NPC1 (0.53) NPC1RAB9ARXFP1MEN1KMT2A

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
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed
US-20030078431-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2003-04-24 US disclosed
US-6500851-B2 ANTICOAGULANT IN MAMMLS ELI LILLY AND COMPANY 2002-12-31 US disclosed
US-20020173518-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-11-21 US disclosed
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 US disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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-20020173518-A1 Antithrombotic agents SERPINC1, TFPI, F11 EGFR 3975/4885ITK 221/4885MAPT 4730/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 EGFR 3975/4885ITK 221/4885MAPT 4730/4885

“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.