SCHEMBL18239699

SCHEMBL18239699

CCCn1ccc2ccc(Br)cc21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 11/20 0.57
▸ HTR6 P50406 1/20 0.47
▸ HTR2A P28223 2/20 0.44
▸ HTR2C P28335 2/20 0.44
▸ PRMT5 O14744 3/20 0.42
▸ CDK4 P11802 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ HTR1D P28221 1/20 0.40

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
SCHEMBL14061899 0.86 HTR2A (0.59) HTR7HTR2AHTR2CCDK4CCND1
SCHEMBL4944128 0.85 HTR7 (0.52) HTR7HTR6HTR2AHTR2CPRMT5
SCHEMBL7256513 0.82 HTR7 (0.51) HTR7HTR6HTR2AHTR2CHTR1D
SCHEMBL31121493 0.82 HTR7 (0.54) HTR7HTR6HTR2AHTR2CPRMT5
SCHEMBL5621531 0.82 HTR7 (0.54) HTR7HTR6HTR2AHTR2CPRMT5
Dimethylamine SCHEMBL18941222 0.81 HTR2A (0.55) HTR7HTR2AHTR2C
SCHEMBL18239404 0.81 HTR7 (0.53) HTR7HTR6HTR2AHTR2CPRMT5
SCHEMBL31258100 0.81 HTR2A (0.64) HTR7HTR6HTR2AHTR2CHTR1D
SCHEMBL7252922 0.81 HTR2A (0.64) HTR7HTR6HTR2AHTR2CHTR1D
SCHEMBL26675197 0.81 HTR7 (0.60) HTR7HTR6HTR2AHTR2CPRMT5

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-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 — — US disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 — — US disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 — — US disclosed
WO-2016180537-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-20180118718-A1 Substituted Quinoxaline Derivatives BRCA1, NQO2, NQO1 HTR7 3745/4885HTR6 2563/4885HTR2A 2968/4885

“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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