SCHEMBL6168045

SCHEMBL6168045

CN(C(=O)Nc1c(N)cccc1C(=O)c1ccc2cc[nH]c2c1)C1CCN(c2ccncc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.38
GHSR Q92847 4/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
JAK1 P23458 3/20 0.36
JAK2 O60674 2/20 0.36
HSD11B1 P28845 2/20 0.35
NPY5R Q15761 3/20 0.34
SMYD3 Q9H7B4 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL6168039 0.83 F10 (0.41) F10KDM4EALDH1A1MAPT
SCHEMBL6170891 0.82 KDM4E (0.38) F10GHSRKDM4EALDH1A1MAPT
SCHEMBL5224752 0.71 F10 (0.43) F10
Hydrochloric Acid SCHEMBL5225398 0.69 CYP2C9 (0.42) F10ALDH1A1MAPTMAPK14
SCHEMBL6169031 0.69 F10 (0.39) F10
SCHEMBL6171478 0.69 F10 (0.35) F10
SCHEMBL5226198 0.69 F10 (0.55) F10KDM4E
Hydrochloric Acid SCHEMBL5226696 0.68 F10 (0.35) F10ALDH1A1
SCHEMBL5224617 0.68 TRPV1 (0.41) F10SMYD3
SCHEMBL7249077 0.68 F10 (0.45) F10ALDH1A1MAPT

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
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
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 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-20020173518-A1 Antithrombotic agents SERPINC1, TFPI, F11 F10 15/4885GHSR 3637/4885KDM4E 4316/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 F10 15/4885GHSR 3637/4885KDM4E 4316/4885

“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.