SCHEMBL20138019

SCHEMBL20138019

Cc1ccnc(C)c1CN1C(=O)COc2ccc(-c3ccc4cn[nH]c(=O)c4c3)nc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.40
HTT P42858 1/20 0.35
BRD4 O60885 2/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32

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
SCHEMBL20138282 0.86 MTOR (0.43) MTOR
SCHEMBL20138109 0.80 MAPK1 (0.43) MTORBRD4JAK2JAK1TYK2
SCHEMBL20138275 0.79 BRD4 (0.34) BRD4JAK2JAK1TYK2
SCHEMBL20137924 0.76 BRD4 (0.35) HTTBRD4
SCHEMBL20138042 0.72 CDC7 (0.35)
SCHEMBL20138228 0.70 BRD4 (0.31) BRD4
SCHEMBL20138307 0.67 MAPK1 (0.42) BRD4JAK2JAK1TYK2
SCHEMBL20138144 0.66 MTOR (0.41) MTOR
SCHEMBL20137967 0.66 MAPK1 (0.43) MTORBRD4JAK2JAK1TYK2
SCHEMBL20138211 0.63 DRD2 (0.32) BRD4JAK2JAK1TYK2

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-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity UCB BIOPHARMA SPRL (BE) 2019-05-14 US disclosed
US-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity UCB S.A. (BE) 2018-05-17 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-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity TNF, NFKBIA, TNFRSF1A MTOR 3479/4885HTT 303/4885BRD4 1801/4885
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity TNF, TNFRSF1A, NFKBIA MTOR 3921/4885HTT 3751/4885BRD4 2210/4885

“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.