SCHEMBL5885757

SCHEMBL5885757

C#CCN(C)C(=O)c1ccc(C#CCN(C)c2cccc(C(=N)N)c2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.35
PPARG P37231 1/20 0.35
F10 P00742 8/20 0.34
F2 P00734 5/20 0.34
EGLN1 Q9GZT9 1/20 0.33
PLG P00747 2/20 0.32
ASIC3 Q9UHC3 1/20 0.31
MAPK14 Q16539 1/20 0.31
PLAT P00750 1/20 0.30
KLK1 P06870 1/20 0.30
KLK5 Q9Y337 1/20 0.30
F7 P08709 1/20 0.30
F3 P13726 1/20 0.30

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
Hydrochloric Acid SCHEMBL5885795 0.99 PLAU (0.35) PLAUPPARGF10F2EGLN1
SCHEMBL5885661 0.91 PLAU (0.36) PLAUPPARGF10F2EGLN1
Hydrochloric Acid SCHEMBL5885701 0.90 PLAU (0.36) PLAUPPARGF10F2EGLN1
SCHEMBL5885672 0.87 PPARG (0.36) PLAUPPARGF10F2EGLN1
SCHEMBL5886148 0.87 F10 (0.39) PLAUPPARGF10F2EGLN1
Hydrochloric Acid SCHEMBL5885111 0.86 PPARG (0.35) PLAUPPARGF10F2EGLN1
Hydrochloric Acid SCHEMBL5886140 0.86 F10 (0.38) PLAUPPARGF10F2EGLN1
SCHEMBL5885576 0.86 PPARG (0.37) PLAUPPARGF10F2EGLN1
Hydrochloric Acid SCHEMBL5885879 0.85 PPARG (0.37) PLAUPPARGF10F2EGLN1
SCHEMBL5885861 0.84 PPARG (0.38) PLAUPPARGF10F2EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404648-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-04-07 EP claimed
WO-2003101942-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-11 WO claimed
US-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-06 US claimed
US-7005437-B2 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2006-02-28 US disclosed
EP-1404648-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-04-07 EP disclosed
WO-2003101942-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-11 WO disclosed
US-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-06 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 (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-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions F2, F12, F3 PLAU 183/4885PPARG 2510/4885F10 16/4885

“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.