SCHEMBL20138144

SCHEMBL20138144

Cc1nc2ccccn2c1CN1C(=O)[C@@H](C)Oc2ccc(-c3ccc4cn[nH]c(=O)c4c3)nc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.41
ALDH1A1 P00352 1/20 0.32
PARP1 P09874 1/20 0.32
PRKCI P41743 1/20 0.32
PDE4B Q07343 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KCNK3 O14649 2/20 0.30
KCNK9 Q9NPC2 2/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL20138243 0.81 MTOR (0.38) MTORALDH1A1TSHR
SCHEMBL20138229 0.81 MTOR (0.38) MTORALDH1A1TSHR
SCHEMBL20137911 0.81 MTOR (0.38) MTORALDH1A1HSD17B10TSHRNPSR1
SCHEMBL20138255 0.81 MAPK1 (0.36) MTORPARP1
SCHEMBL20138241 0.80 MTOR (0.39) MTORALDH1A1HSD17B10TSHRNPSR1
SCHEMBL20138282 0.80 MTOR (0.43) MTORALDH1A1TSHRNPSR1
SCHEMBL20138179 0.78 TSHR (0.35) ALDH1A1TSHRNPSR1HCRTR1HCRTR2
SCHEMBL20138214 0.78 TSHR (0.35) ALDH1A1TSHRNPSR1HCRTR1HCRTR2
SCHEMBL20138236 0.68 MAPK1 (0.37) MTORALDH1A1PARP1
SCHEMBL20137958 0.66 TSHR (0.39) TSHRNPSR1KCNK3KCNK9

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 3479/4885ALDH1A1 557/4885PARP1 1553/4885
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 3921/4885ALDH1A1 244/4885PARP1 2142/4885

“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.