SCHEMBL20138057

SCHEMBL20138057

Cc1nn(C)c(C)c1CN1C(=O)[C@@H](C)Oc2ccc(C3CCCNC3)nc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.39
CHEK1 O14757 3/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CCNA1 P78396 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
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
SCHEMBL20137999 0.82 TSHR (0.35) GRM2CHEK1ALDH1A1
SCHEMBL20138135 0.80 GRM2 (0.40) GRM2CHEK1CCNA2CDK2CCNA1
SCHEMBL20138097 0.80 GRM2 (0.32) GRM2
SCHEMBL20138011 0.77 TSHR (0.35) ALDH1A1
SCHEMBL20137982 0.77 TSHR (0.35) ALDH1A1
SCHEMBL20137957 0.73 BRD4 (0.35)
SCHEMBL20138130 0.73 MAPK1 (0.42)
SCHEMBL20138056 0.72 TSHR (0.32) ALDH1A1
SCHEMBL20138099 0.72 TSHR (0.32) ALDH1A1
SCHEMBL20138124 0.72 SMN1; SMN2 (0.33) ALDH1A1

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 GRM2 2197/4885CHEK1 3667/4885CCNA2 4824/4885
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 GRM2 1146/4885CHEK1 3484/4885CCNA2 3226/4885

“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.