SCHEMBL20138284

SCHEMBL20138284

Cc1ncccc1CN1C(=O)COc2ccc(Br)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
BRD4 O60885 1/20 0.37
GABRA5 P31644 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 2/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C9 P11712 2/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL20137924 0.82 BRD4 (0.35) TSHRAPOBEC3AAPOBEC3GBRD4ALDH1A1
SCHEMBL20138254 0.80 TSHR (0.42) TSHRGABRA5ALDH1A1HTTL3MBTL1
SCHEMBL20138205 0.80 TSHR (0.42) TSHRGABRA5ALDH1A1HTTL3MBTL1
SCHEMBL20138307 0.76 MAPK1 (0.42) APOBEC3AAPOBEC3GBRD4MAPK1
SCHEMBL20137971 0.75 SMN1; SMN2 (0.36) TSHRBRD4ALDH1A1MAPK1HTT
SCHEMBL21671699 0.75 HTT (0.44) TSHRBRD4ALDH1A1HTTCYP2C9
SCHEMBL20138143 0.74 SSTR5 (0.38) ALDH1A1MAPK1HTTTP53SMN1; SMN2
SCHEMBL591596 0.73 HTT (0.45) TSHRALOX15MAPK1HTTTP53
SCHEMBL1712056 0.72 L3MBTL1 (0.60) ALDH1A1HTTL3MBTL1
SCHEMBL30047612 0.72 L3MBTL1 (0.60) ALDH1A1HTTL3MBTL1

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 2169/4885APOBEC3A 4450/4885APOBEC3G 4366/4885
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 940/4885APOBEC3A 3851/4885APOBEC3G 4292/4885

“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.