SCHEMBL18228501

SCHEMBL18228501

COc1ccc(Br)cc1N(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.53
▸ APP P05067 3/20 0.51
▸ TSHR P16473 1/20 0.44
▸ PYCR1 P32322 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ MGAM O43451 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ AMY1A P0DUB6 1/20 0.38

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
SCHEMBL18641055 0.83 APP (0.51) CCR5APPTSHRPYCR1POLB
SCHEMBL27845619 0.80 POLB (0.43) CCR5APPPYCR1POLBKDM4E
SCHEMBL282542 0.80 CCR5 (0.57) CCR5APPTSHRPYCR1POLB
SCHEMBL19495078 0.79 CCR5 (0.57) CCR5TSHRTDP1KDM4EGLA
SCHEMBL19513178 0.77 CCR5 (0.48) CCR5APPTSHRPOLBTDP1
SCHEMBL22272311 0.77 CCR5 (0.48) CCR5APPTSHRPYCR1TDP1
SCHEMBL20176919 0.77 TSHR (0.50) CCR5TSHRPOLBTDP1KDM4E
SCHEMBL2094102 0.77 CA12 (0.58) APPTSHRALDH1A1KMT2A
SCHEMBL10622463 0.77 ACHE (0.58) APPTSHRPOLBTDP1ALDH1A1
SCHEMBL18292222 0.75 MAOB (0.52) APPPOLBTDP1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 — — US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 — — US disclosed
EP-3294729-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 — — EP disclosed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 — — WO 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 (1 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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 CCR5 2982/4885APP 4554/4885TSHR 4313/4885

“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.

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