SCHEMBL24352211

SCHEMBL24352211

CCNCc1ccccc1-c1ncccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 1/20 0.49
▸ GAA P10253 1/20 0.44
▸ CYP2D6 P10635 6/20 0.40
▸ CYP1A2 P05177 5/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ CYP3A4 P08684 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ PDCD1LG2 Q9BQ51 2/20 0.38
▸ CD274 Q9NZQ7 2/20 0.38
▸ TSHR P16473 3/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL23346997 0.83 KDM4E (0.42) CASP6GAACYP2D6CYP1A2ALDH1A1
SCHEMBL24312596 0.81 LTA4H (0.50) CASP6CYP2D6CYP1A2MAPTSLC6A2
SCHEMBL23082861 0.79 CYP2D6 (0.44) CASP6CYP2D6CYP1A2MAPTCYP3A4
SCHEMBL30172379 0.77 KCNA5 (0.44) GAACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL24352318 0.77 CASP6 (0.44) CASP6CYP2D6CYP1A2MAPTCYP3A4
Bromide SCHEMBL30172419 0.76 KCNA5 (0.43) GAACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL24352255 0.76 CASP6 (0.41) CASP6GAACYP2D6CYP1A2MAPT
SCHEMBL24353016 0.76 MAP3K8 (0.44) CASP6GAACYP2D6CYP1A2CYP3A4
SCHEMBL10449365 0.76 TACR1 (0.51) GAACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL17888348 0.74 GAA (0.42) GAACYP2D6SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119395-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-04-21 — — 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 (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-20220119395-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 CASP6 2981/4885GAA 172/4885CYP2D6 92/4885

“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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