SCHEMBL24952928

SCHEMBL24952928

C[C@@H](O)CN(C)C(=O)Nc1ncc(Cc2ccccc2F)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.56
▸ POLB P06746 1/20 0.52
▸ MAP4K1 Q92918 1/20 0.45
▸ CFTR P13569 1/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ SIRT2 Q8IXJ6 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GPER1 Q99527 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL24953645 1.00 ABL1 (0.56) ABL1POLBMAP4K1CFTRMEN1
SCHEMBL24953757 1.00 ABL1 (0.56) ABL1POLBMAP4K1CFTRMEN1
SCHEMBL24953879 0.92 POLB (0.50) ABL1POLBMAP4K1CFTRMEN1
SCHEMBL24953866 0.88 MAPT (0.43) ABL1POLBMEN1KMT2ASIRT2
SCHEMBL24953677 0.88 GPER1 (0.50) ABL1POLBCFTRMEN1KMT2A
SCHEMBL24954089 0.88 MEN1 (0.43) ABL1POLBMEN1KMT2ASIRT2
SCHEMBL24952951 0.83 MEN1 (0.57) ABL1POLBMEN1KMT2ASIRT2
SCHEMBL24954084 0.82 SCD (0.50) ABL1MEN1KMT2ALMNAL3MBTL1
SCHEMBL24953812 0.82 MAPT (0.53) ABL1MEN1KMT2ASIRT2LMNA
SCHEMBL24953830 0.81 SCD (0.47) ABL1POLBMEN1KMT2ALMNA

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-20230029266-A1 MrgprX2 Antagonists for the Treatment of Inflammatory Disorders DERMIRA, INC. 2023-01-26 — — 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-20230029266-A1 MrgprX2 Antagonists for the Treatment of Inflammatory Disorders MRGPRX2, MRGPRX1, MRGPRX4 ABL1 4235/4885POLB 4455/4885MAP4K1 4048/4885

“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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