SCHEMBL21733507

SCHEMBL21733507

Cc1cc2[nH]cnc2c(I)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CSNK2A1 P68400 2/20 0.39
CSNK2A2 P19784 1/20 0.39
PNP P00491 1/20 0.37
PARP1 P09874 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
PRNP P04156 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDPK1 O15530 2/20 0.33
BRD4 O60885 1/20 0.33
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL30834488 1.00 MEN1 (0.54) MEN1KMT2ACSNK2A1CSNK2A2PNP
SCHEMBL11097769 0.82 MEN1 (0.59) MEN1KMT2APNPPARP1ALDH1A1
SCHEMBL27260946 0.81 MEN1 (0.41) MEN1KMT2ACSNK2A1CSNK2A2PNP
SCHEMBL31460305 0.77 MEN1 (0.54) MEN1KMT2ACSNK2A1CSNK2A2PNP
SCHEMBL6581511 0.74 MEN1 (0.51) MEN1KMT2APNPPARP1ALDH1A1
SCHEMBL5840003 0.74 CSNK2A1 (0.41) MEN1KMT2ACSNK2A1CSNK2A2PARP1
SCHEMBL24854412 0.74 MEN1 (0.51) MEN1KMT2APNPPARP1ALDH1A1
SCHEMBL21733361 0.74 MEN1 (0.51) MEN1KMT2APNPPARP1ALDH1A1
SCHEMBL28151304 0.74 CSNK2A1 (0.48) MEN1KMT2ACSNK2A1CSNK2A2PNP
SCHEMBL13186667 0.70 MEN1 (1.00) MEN1KMT2APNPPARP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112119075-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-12 CN disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-20230002345-A1 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-05 US disclosed
CN-112119075-A Fused ring compound 豪夫迈·罗氏有限公司 2020-12-22 CN disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 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 (2 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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS MEN1 2354/4885KMT2A 3557/4885CSNK2A1 206/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS MEN1 2354/4885KMT2A 3557/4885CSNK2A1 206/4885

“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.