SCHEMBL20138211

SCHEMBL20138211

Cc1nn(C)c(C)c1CN1C(=O)COc2ccc(-c3ccc4c(c3)C(=O)N(C)CC4)nc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.32
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
BRD4 O60885 1/20 0.31
PRF1 P14222 1/20 0.31
SHMT2 P34897 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
GNRHR P30968 1/20 0.30
ALK Q9UM73 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
SCHEMBL20137967 0.87 MAPK1 (0.43) BRD4SHMT2JAK2JAK1TYK2
SCHEMBL20137971 0.75 SMN1; SMN2 (0.36) GAATSHRBRD4SHMT2NPC1
SCHEMBL20137915 0.75 MAPK1 (0.41) BRD4
SCHEMBL20138147 0.74 MAPK1 (0.44) PRF1GNRHR
SCHEMBL20138092 0.73 SMN1; SMN2 (0.36) SHMT2NPC1RAB9ASMN1; SMN2
SCHEMBL20138109 0.73 MAPK1 (0.43) BRD4PRF1JAK2JAK1TYK2
SCHEMBL20138130 0.73 MAPK1 (0.42)
SCHEMBL20138189 0.72 SMN1; SMN2 (0.34) TSHRBRD4SHMT2NPC1RAB9A
SCHEMBL20138244 0.72 MAPK1 (0.41) PRF1SHMT2NPC1RAB9ASMN1; SMN2
SCHEMBL20138232 0.70 MAPK1 (0.42) PRF1

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 DRD2 1679/4885GAA 615/4885TSHR 2169/4885
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 DRD2 1711/4885GAA 1575/4885TSHR 940/4885

“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.