SCHEMBL6842782

SCHEMBL6842782

COc1ccc(-c2ccc3nc(C)c(-c4nc(-c5ccccc5)c(-c5nnc[nH]5)s4)n3c2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 7/20 0.37
ALDH1A1 P00352 6/20 0.37
MAPK1 P28482 4/20 0.37
HSD17B10 Q99714 4/20 0.37
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
MAPT P10636 5/20 0.35
HPGD P15428 5/20 0.35
HTT P42858 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
ACACA Q13085 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 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
SCHEMBL954401 0.86 L3MBTL1 (0.39) L3MBTL1KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL6842781 0.83 AKT1 (0.38) KDM4EMAPK1LMNANR1H4MAPT
SCHEMBL952215 0.80 ALDH1A1 (0.41) KDM4EALDH1A1MAPK1HSD17B10LMNA
SCHEMBL955207 0.80 AKT1 (0.31)
Hydrochloric Acid SCHEMBL952112 0.79 ALDH1A1 (0.41) KDM4EALDH1A1MAPK1HSD17B10LMNA
SCHEMBL952490 0.79 AKT2 (0.33) NR1H4
SCHEMBL952245 0.77 AKT2 (0.33)
SCHEMBL12918375 0.77 AKT1 (0.33)
SCHEMBL6845102 0.75 AKT1 (0.38) NR1H4
SCHEMBL6842921 0.75 SLC2A1 (0.39) KDM4EALDH1A1NPSR1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 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 (2 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 L3MBTL1 2095/4885KDM4E 1981/4885ALDH1A1 1687/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 L3MBTL1 1465/4885KDM4E 2304/4885ALDH1A1 728/4885

“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.