SCHEMBL20138124

SCHEMBL20138124

CC(=O)N1C=C(c2ccc3c(n2)N(Cc2c(C)nn(C)c2C)C(=O)[C@@H](C)O3)CCC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
SHMT2 P34897 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 2/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 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
SCHEMBL20138092 0.85 SMN1; SMN2 (0.36) SMN1; SMN2SHMT2NPC1RAB9AKMT2A
SCHEMBL20138091 0.78 GALR3 (0.35) SMN1; SMN2MAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL20137982 0.75 TSHR (0.35) SMN1; SMN2SHMT2NPC1RAB9AALDH1A1
SCHEMBL20138011 0.75 TSHR (0.35) SMN1; SMN2SHMT2NPC1RAB9AALDH1A1
SCHEMBL20138130 0.72 MAPK1 (0.42) MAPK1
SCHEMBL20138190 0.71 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL20137999 0.71 TSHR (0.35) SMN1; SMN2MAPK1ALDH1A1MEN1KMT2A
SCHEMBL20137957 0.70 BRD4 (0.35)
SCHEMBL20138099 0.70 TSHR (0.32) SMN1; SMN2SHMT2NPC1RAB9AALDH1A1
SCHEMBL20138056 0.70 TSHR (0.32) SMN1; SMN2SHMT2NPC1RAB9AALDH1A1

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 SMN1; SMN2 798/4885SHMT2 2782/4885NPC1 4103/4885
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 SMN1; SMN2 419/4885SHMT2 3128/4885NPC1 4360/4885

“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.