SCHEMBL617256

SCHEMBL617256

COc1cc(OC)c2cnc(-c3ccc(N4CCC(=O)CC4)cc3)nc2n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAK O14976 1/20 0.42
MAP4K1 Q92918 5/20 0.42
MTOR P42345 9/20 0.41
TRPM8 Q7Z2W7 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
LCK P06239 2/20 0.36
MAP4K3 Q8IVH8 2/20 0.36
MAPT P10636 2/20 0.35
ACHE P22303 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 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
SCHEMBL617078 0.84 CHEK1 (0.42) GAKMAP4K1MTORTRPM8CCNC
SCHEMBL377887 0.74 KDM4E (0.47) MAPTKDM4EMEN1ALDH1A1POLB
SCHEMBL1359572 0.68 CHRNB2 (0.58) MAPTMEN1KMT2A
SCHEMBL1304918 0.67 MTOR (0.52) GAKMAP4K1MTORTRPM8MAPT
SCHEMBL30459652 0.67 TGFBR1 (0.54) MAP4K1
SCHEMBL15328156 0.67 TGFBR1 (0.54) MAP4K1
SCHEMBL3544939 0.65 LMNA (0.51) MEN1ALDH1A1KMT2A
SCHEMBL15328365 0.65 CHRNB2 (0.51) MAP4K1
SCHEMBL17893611 0.64 TERT (0.44) CCNCCDK8MAPTKDM4EMEN1
SCHEMBL18205632 0.64 SMN1; SMN2 (0.38) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10882828-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2021-01-05 US disclosed
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2019-04-25 US disclosed
US-10131640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2018-11-20 US disclosed
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2016-05-19 US disclosed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 US disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 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 (5 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-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 GAK 1410/4885MAP4K1 1470/4885MTOR 3907/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 GAK 1146/4885MAP4K1 1353/4885MTOR 3606/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 GAK 1146/4885MAP4K1 1353/4885MTOR 3606/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 GAK 1410/4885MAP4K1 1470/4885MTOR 3907/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 GAK 1410/4885MAP4K1 1470/4885MTOR 3907/4885

“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.