SCHEMBL5885572

SCHEMBL5885572

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F3 P13726 12/20 0.45
F7 P08709 10/20 0.45
F2 P00734 10/20 0.44
F10 P00742 9/20 0.44
PLG P00747 4/20 0.42
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACACB O00763 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
PPARG P37231 1/20 0.36
ALOX5 P09917 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL5885658 0.88 F10 (0.39) F3F2F10PLGEGLN1
SCHEMBL5885861 0.87 PPARG (0.38) F3F7F2F10PLG
SCHEMBL5885753 0.87 F10 (0.35) F3F7F2F10PLG
Hydrochloric Acid SCHEMBL5886017 0.86 PPARG (0.38) F3F7F2F10PLG
SCHEMBL5885576 0.85 PPARG (0.37) F3F7F2F10PLG
SCHEMBL5885670 0.85 F10 (0.37) F3F7F2F10PLG
Hydrochloric Acid SCHEMBL5885879 0.84 PPARG (0.37) F3F7F2F10PLG
SCHEMBL5885785 0.84 KMT2A (0.39) GAAKMT2AHSD17B10ACACBEGLN1
SCHEMBL5885661 0.82 PLAU (0.36) F2F10PLGEGLN1PPARG
SCHEMBL5886148 0.82 F10 (0.39) F2F10PLGEGLN1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 F3 3/4885F7 22/4885F2 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.