SCHEMBL23101036

SCHEMBL23101036

COC(=O)c1nc2nc[nH]c2cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KMT2A Q03164 4/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ QPCT Q16769 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ HIF1A Q16665 1/20 0.34

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
SCHEMBL20551388 0.78 NPSR1 (0.40) NPSR1KMT2ATDP1HDAC6ABL1
SCHEMBL20552180 0.73 MMP2 (0.40) NPSR1NR4A2HPGDNPC1RAB9A
SCHEMBL30640970 0.73 GAA (0.40) KMT2AMKNK1QPCTCREBBPNR4A2
SCHEMBL25349620 0.73 PDPK1 (0.42) NPSR1KMT2ARXFP1QPCTHPGD
SCHEMBL25727792 0.72 HDAC6 (0.43) KMT2ATDP1HDAC6ABL1QPCT
SCHEMBL20552070 0.71 AXL (0.44) NPSR1KMT2AXDHPOLBNPC1
SCHEMBL22533971 0.71 CTSA (0.46) NPSR1KMT2AMKNK1CREBBPHPGD
SCHEMBL29424799 0.71 CTSA (0.46) NPSR1KMT2AMKNK1CREBBPHPGD
SCHEMBL30119558 0.71 ALDH1A1 (0.46) NPSR1ABL1RXFP1MKNK1CREBBP
SCHEMBL3047163 0.71 HPGD (0.43) KMT2ARXFP1POLBHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3619205-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2022-04-06 — — EP disclosed
US-10954252-B1 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2021-03-23 — — US disclosed
US-10954252-B1 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2021-03-23 — — 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-10954252-B1 Inhibitors of human immunodeficiency virus replication EIF2AK2, REV1, POLR2E NPSR1 4665/4885KMT2A 3575/4885TDP1 1139/4885

“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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