SCHEMBL20138136

SCHEMBL20138136

Cc1ncccc1CN1C(=O)[C@@H](C)Oc2cc(C(F)(F)F)c(Cl)nc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.41
HTT P42858 1/20 0.41
P2RX7 Q99572 6/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IL1B P01584 1/20 0.35
KCNN4 O15554 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
OPRM1 P35372 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL20138206 0.83 P2RX7 (0.38) TSHRHTTP2RX7NPSR1IL1B
SCHEMBL20138175 0.78 MAPK1 (0.34) TSHRP2RX7NPSR1
SCHEMBL20138254 0.77 TSHR (0.42) TSHRHTTP2RX7NPSR1MEN1
SCHEMBL20138205 0.77 TSHR (0.42) TSHRHTTP2RX7NPSR1MEN1
SCHEMBL20138264 0.73 NR1H2 (0.37)
SCHEMBL20137962 0.70 MAPK1 (0.36) P2RX7
SCHEMBL20138313 0.68 MAPK1 (0.41) TSHRHTTNPSR1ALDH1A1
SCHEMBL20138050 0.67 TSHR (0.47) TSHRHTTP2RX7NPSR1MEN1
SCHEMBL20138156 0.61 PDE3B (0.38) ALDH1A1
SCHEMBL20137910 0.61 TSHR (0.40) TSHRHTTNPSR1MEN1KMT2A

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 TSHR 2169/4885HTT 303/4885P2RX7 36/4885
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 940/4885HTT 3751/4885P2RX7 73/4885

“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.