SCHEMBL5885442

SCHEMBL5885442

Cc1cc(C#CCN(C)c2cccc(C(=N)N)c2)ccc1C(=O)N1CC=CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.39
PRSS1 P07477 1/20 0.39
PPARG P37231 1/20 0.36
ACACB O00763 1/20 0.34
PLA2G7 Q13093 3/20 0.33
F2 P00734 1/20 0.33
PLAU P00749 2/20 0.33
MAPK14 Q16539 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PLG P00747 1/20 0.32
ALOX5 P09917 1/20 0.31

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 SCHEMBL5885730 0.99 F10 (0.39) F10PRSS1PPARGACACBPLA2G7
SCHEMBL5885319 0.91 ACACB (0.43) F10PRSS1PPARGACACBF2
Hydrochloric Acid SCHEMBL5886010 0.90 ACACB (0.42) F10PRSS1PPARGACACB
SCHEMBL5885782 0.86 PTPN1 (0.37) F10PRSS1ACACBPLA2G7F2
Hydrochloric Acid SCHEMBL5885081 0.86 PTPN1 (0.37) F10PRSS1ACACBPLA2G7F2
SCHEMBL5886169 0.84 PPARG (0.38) PPARGACACBPLA2G7MAPK14EGLN1
SCHEMBL5885467 0.84 F10 (0.36) F10PRSS1F2
SCHEMBL5885861 0.83 PPARG (0.38) F10PRSS1PPARGF2PLAU
Hydrochloric Acid SCHEMBL5885592 0.83 F10 (0.36) F10PRSS1F2
SCHEMBL5885661 0.82 PLAU (0.36) F10PPARGF2PLAUMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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 F10 16/4885PRSS1 204/4885PPARG 2510/4885

“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.