SCHEMBL20138282

SCHEMBL20138282

Cc1ccnc(C)c1CN1C(=O)[C@@H](C)Oc2ccc(-c3ccc4cn[nH]c(=O)c4c3)nc21

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.43
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL20138019 0.86 MTOR (0.40) MTOR
SCHEMBL20138144 0.80 MTOR (0.41) MTORTSHRNPSR1ALDH1A1
SCHEMBL20137910 0.76 TSHR (0.40) TSHRNPSR1ALDH1A1
SCHEMBL20138000 0.70 MAPK1 (0.38) MTORTSHRNPSR1
SCHEMBL20138132 0.69 MTOR (0.34) MTORTSHR
SCHEMBL20138313 0.67 MAPK1 (0.41) MTORTSHRNPSR1ALDH1A1
SCHEMBL20138280 0.67 MAPK1 (0.41) MTORTSHRNPSR1ALDH1A1
SCHEMBL20138165 0.66 MTOR (0.34) MTORTSHR
SCHEMBL20138130 0.66 MAPK1 (0.42) MTOR
SCHEMBL20138109 0.66 MAPK1 (0.43) MTOR

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 3479/4885TSHR 2169/4885NPSR1 1482/4885
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 3921/4885TSHR 940/4885NPSR1 427/4885

“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.