SCHEMBL20138050

SCHEMBL20138050

Cc1ncccc1CN1C(=O)[C@@H](C)Oc2c(F)cc(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.35
GABRA5 P31644 1/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
CHRM1 P11229 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
RIPK1 Q13546 1/20 0.32
AKR1B1 P15121 1/20 0.32
P2RX7 Q99572 1/20 0.31

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
SCHEMBL20138227 0.77 CD274 (0.38) TSHRNPSR1HTTGABRA5GRIN1
SCHEMBL20137992 0.77 TSHR (0.37) TSHRNPSR1CHRM1RIPK1
SCHEMBL20138121 0.76 TSHR (0.35) TSHRNPSR1MEN1KMT2AALDH1A1
SCHEMBL20138286 0.76 TSHR (0.35) TSHRNPSR1MEN1KMT2AALDH1A1
SCHEMBL20137958 0.76 TSHR (0.39) TSHRNPSR1MEN1KMT2A
SCHEMBL20138084 0.76 TSHR (0.35) TSHRNPSR1MEN1KMT2A
SCHEMBL20138263 0.73 TSHR (0.32) TSHRMEN1KMT2A
SCHEMBL18128119 0.73 TSHR (0.33) TSHRNPSR1MEN1KMT2A
SCHEMBL20138254 0.72 TSHR (0.42) TSHRNPSR1HTTMEN1KMT2A
SCHEMBL20138205 0.72 TSHR (0.42) TSHRNPSR1HTTMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107873031-B Benzoxazinone derivatives and analogs thereof as modulators of TNF activity UCB生物制药私人有限公司 2021-03-12 CN disclosed
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 TSHR 2169/4885NPSR1 1482/4885HTT 303/4885
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 TSHR 940/4885NPSR1 427/4885HTT 3751/4885

“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.