SCHEMBL5646136

SCHEMBL5646136

COc1cc2cc(CO)cnc2cc1NC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.47
SYK P43405 1/20 0.47
GAA P10253 1/20 0.43
PDGFRB P09619 5/20 0.43
PDGFRA P16234 5/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
TSHR P16473 1/20 0.39
PDE5A O76074 1/20 0.39
PDE4A P27815 1/20 0.39
PDE1A P54750 1/20 0.39

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
SCHEMBL14587877 0.89 GAA (0.43) IRAK4SYKGAAPDGFRBPDGFRA
Hydrochloric Acid SCHEMBL5646561 0.88 GAA (0.42) IRAK4SYKGAAPDGFRBPDGFRA
SCHEMBL5644738 0.84 PDGFRB (0.42) GAAPDGFRBPDGFRAMEN1KMT2A
SCHEMBL5645330 0.83 FAAH (0.52) FAAH
SCHEMBL5651185 0.82 FAAH (0.51) ALDH1A1KDM4EFAAH
SCHEMBL5645736 0.82 HTR2C (0.46) IRAK4SYKMEN1KMT2AKDM4E
SCHEMBL5651000 0.82 PGK1 (0.51) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL5649400 0.73 KDM4E (0.60) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL6643787 0.72 HSD17B1 (0.54) IRAK4GAAMEN1KMT2AALDH1A1
SCHEMBL17942731 0.71 ALDH1A1 (0.47) GAAMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050209213-A1 Quinoline compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-22 US disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 EP 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-20050209213-A1 Quinoline compound MC1R, MC2R, TYR IRAK4 3952/4885SYK 2825/4885GAA 868/4885

“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.