SCHEMBL5885573

SCHEMBL5885573

C#CC(Nc1cccc(C#N)c1)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GRM4 Q14833 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL1796491 0.75 KMT2A (0.51) MAPTKMT2AALDH1A1MEN1PDK1
SCHEMBL7406589 0.75 KMT2A (0.51) MAPTKMT2AALDH1A1MEN1PDK1
SCHEMBL1796490 0.75 KMT2A (0.51) MAPTKMT2AALDH1A1MEN1PDK1
SCHEMBL27993810 0.74 KMT2A (0.48) MAPTKMT2AALDH1A1MEN1PDK1
SCHEMBL30368222 0.73 ALDH1A1 (0.66) MAPTKMT2AALDH1A1MEN1PDK1
SCHEMBL171190 0.73 ALDH1A1 (0.66) MAPTKMT2AALDH1A1MEN1PDK1
SCHEMBL11957643 0.73 ABCC9 (0.50) MAPTKMT2AALDH1A1MEN1PDK1
SCHEMBL11198974 0.72 CTSL (0.60) MAPTKMT2AALDH1A1MEN1PDK1
SCHEMBL11058918 0.72 CTSL (0.60) MAPTKMT2AALDH1A1MEN1PDK1
SCHEMBL5886102 0.72 PDCD1 (0.45) MAPTKMT2AALDH1A1MEN1PDK1

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 2 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 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 MAPT 3321/4885KMT2A 4079/4885ALDH1A1 956/4885

“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.