SCHEMBL5885643

SCHEMBL5885643

Cc1cc(C#CC(Cc2ccccc2)Nc2cccc(C(=N)N)c2)ccc1C(=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.38
PRSS1 P07477 8/20 0.38
F2 P00734 3/20 0.38
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
MRGPRX1 Q96LB2 1/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
HPN P05981 1/20 0.35
HGFAC Q04756 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35
ASIC3 Q9UHC3 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
SCHEMBL5885889 0.91 F10 (0.38) F10PRSS1F2ITGB3ITGA2B
SCHEMBL5885788 0.85 F10 (0.40) F10PRSS1F2ITGB3ITGA2B
SCHEMBL5885600 0.85 ACACB (0.49) F10PRSS1PRSS2PRSS3HPN
SCHEMBL5885694 0.84 LMNA (0.43)
SCHEMBL5885640 0.74 PTPN1 (0.37) F10PRSS1F2PRSS2PRSS3
SCHEMBL5885770 0.74 F10 (0.56) F10PRSS1F2PRSS2PRSS3
Hydrochloric Acid SCHEMBL5886012 0.74 PTPN1 (0.37) F10PRSS1F2PRSS2PRSS3
SCHEMBL5885861 0.71 PPARG (0.38) F10PRSS1F2ASIC3
SCHEMBL5885506 0.71 ACACB (0.48) F10PRSS1
Hydrochloric Acid SCHEMBL5886017 0.70 PPARG (0.38) F10PRSS1F2ASIC3

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 F10 16/4885PRSS1 204/4885F2 1/4885

“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.