SCHEMBL29806041

SCHEMBL29806041

CCC(=O)Nc1cnc(Oc2ccc(F)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.46
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.41
▸ RXRB P28702 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MMP13 P45452 2/20 0.40
▸ HSPB1 P04792 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
SCHEMBL30899659 0.86 HSD17B10 (0.49) ADORA3ADORA2AADORA1ALDH1A1HSD17B10
SCHEMBL30473406 0.84 HSD17B10 (0.49) ABL1ADORA3ADORA2AADORA1L3MBTL1
SCHEMBL30899660 0.83 MRGPRX2 (0.48) ABL1ADORA3ADORA2AADORA1HSD17B10
SCHEMBL30899662 0.82 CXCR2 (0.46) ABL1ALDH1A1L3MBTL1HSD17B10PRKAA2
SCHEMBL29563807 0.80 HRH3 (0.42) ABL1ALDH1A1L3MBTL1RXRBMEN1
SCHEMBL31132739 0.78 HSD17B10 (0.38) ABL1ADORA3ADORA2AADORA1HSD17B10
SCHEMBL18896187 0.77 ADORA3 (0.48) ADORA3ADORA2AADORA1ALDH1A1HSD17B10
SCHEMBL17778922 0.77 ADORA3 (0.45) ABL1ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL24931521 0.76 CYP1A2 (0.38) ABL1ALDH1A1L3MBTL1RXRBHRH3
SCHEMBL18629790 0.75 HSD17B10 (0.57) ABL1ADORA3ADORA2AADORA1ALDH1A1

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-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 — — US claimed
WO-2022152852-A1 ANTAGONISTS OF MRGX2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-07-21 — — 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-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 ABL1 3803/4885ADORA3 1418/4885ADORA2A 1289/4885

“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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