SCHEMBL1834273

SCHEMBL1834273

CCCCCc1nc2ccccc2c(CCCCC)c1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 12/20 0.63
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 2/20 0.53
HPGD P15428 2/20 0.53
CYP3A4 P08684 2/20 0.49
HSD17B10 Q99714 2/20 0.49
USP2 O75604 1/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
TLR7 Q9NYK1 4/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL15923395 0.88 KDM4E (0.55) TLR8KDM4EALDH1A1GAAHPGD
SCHEMBL5318703 0.83 KDM4E (0.75) TLR8KDM4EALDH1A1GAAHPGD
SCHEMBL16836317 0.83 TLR8 (0.65) TLR8KDM4EALDH1A1GAAHPGD
SCHEMBL27524794 0.82 DHFR (0.59) TLR8KDM4EALDH1A1GAAHPGD
SCHEMBL27832687 0.82 KDM4E (0.58) TLR8KDM4EALDH1A1GAAHPGD
SCHEMBL5319761 0.82 KDM4E (0.72) TLR8KDM4EALDH1A1GAAHPGD
SCHEMBL5318249 0.82 KDM4E (0.72) TLR8KDM4EALDH1A1GAAHPGD
SCHEMBL2537670 0.82 KDM4E (0.72) TLR8KDM4EALDH1A1GAAHPGD
SCHEMBL21633651 0.82 KDM4E (0.72) TLR8KDM4EALDH1A1GAAHPGD
SCHEMBL5318248 0.82 KDM4E (0.72) TLR8KDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987301-B2 Heteroarylaminoquinolines as TGF-beta receptor kinase inhibitors MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
EP-2496234-A1 HETEROARYLAMINOQUINOLINES AS TGF-BETA RECEPTOR KINASE INHIBITORS Merck Patent GmbH (DE) 2012-09-12 EP disclosed
US-20120225875-A1 HETEROARYLAMINOQUINOLINES AS TGF-BETA RECEPTOR KINASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-06 US disclosed
WO-2011054433-A1 HETEROARYLAMINOQUINOLINES AS TGF-BETA RECEPTOR KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-05-12 WO 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-20120225875-A1 HETEROARYLAMINOQUINOLINES AS TGF-BETA RECEPTOR KINASE INHIBITORS TGFBR1, TGFBR2, TGFB1 TLR8 4227/4885KDM4E 1715/4885ALDH1A1 3645/4885

“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.