SCHEMBL19632938

SCHEMBL19632938

Cc1cccc(-c2n[nH]c3cccc(O)c23)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 8/20 0.52
MAPK1 P28482 3/20 0.52
MAPK6 Q16659 3/20 0.52
MAPKAPK2 P49137 2/20 0.52
TTK P33981 4/20 0.45
HTR7 P34969 1/20 0.45
MAPKAPK3 Q16644 2/20 0.43
MAPKAPK5 Q8IW41 1/20 0.43
IDO1 P14902 1/20 0.41
AURKA O14965 1/20 0.41
HPGD P15428 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
MAPK14 Q16539 1/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL1997257 0.82 TTK (0.56) MAP2K4MAPK1MAPK6MAPKAPK2TTK
SCHEMBL5387981 0.78 AURKA (0.66) MAP2K4MAPK1MAPK6TTKHTR7
SCHEMBL5078605 0.75 MAP2K4 (0.55) MAP2K4MAPK1MAPK6MAPKAPK2TTK
SCHEMBL30639606 0.74 HTR7 (0.46) MAP2K4HTR7IDO1HPGDPPARG
SCHEMBL383361 0.73 MAPK1 (0.47) MAP2K4MAPK1MAPK6MAPKAPK2TTK
SCHEMBL29768032 0.73 MAPK1 (0.47) MAP2K4MAPK1MAPK6MAPKAPK2TTK
SCHEMBL17829602 0.70 MAP2K4 (0.69) MAP2K4MAPK1MAPK6MAPKAPK2MAPKAPK3
SCHEMBL3802281 0.69 IMPDH2 (0.44) MAP2K4MAPK1MAPK6MAPKAPK2TTK
SCHEMBL8817864 0.69 HTR7 (0.44) MAP2K4TTKHTR7IDO1CSNK1D
SCHEMBL13525180 0.68 MAP2K4 (0.51) MAP2K4MAPK1MAPK6MAPKAPK2MAPKAPK3

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-20180133221-A1 ADMINISTRATION OF UBIQUITIN-ACTIVATING ENZYME INHIBITOR AND CHEMOTHERAPEUTIC AGENTS MILLENNIUM PHARMACEUTICALS, INC. 2018-05-17 US disclosed
US-20170333434-A1 ADMINISTRATION OF UBIQUITIN-ACTIVATING ENZYME INHIBITOR AND RADIATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-11-23 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-20170333434-A1 ADMINISTRATION OF UBIQUITIN-ACTIVATING ENZYME INHIBITOR AND RADIATION UBE2E1, UBA1, USP1 MAP2K4 2113/4885MAPK1 2082/4885MAPK6 3398/4885
US-20180133221-A1 ADMINISTRATION OF UBIQUITIN-ACTIVATING ENZYME INHIBITOR AND CHEMOTHERAPEUTIC AGENTS USP1, UBA1, UBE2E1 MAP2K4 2062/4885MAPK1 2653/4885MAPK6 3447/4885

“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.