SCHEMBL30997245

SCHEMBL30997245

COc1cc2c(c(F)c1Br)c(=O)ncn2C

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CGAS Q8N884 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ S100B P04271 1/20 0.32
▸ PRNP P04156 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ AMY1A P0DUB6 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ P2RX7 Q99572 2/20 0.30
▸ NR3C1 P04150 1/20 0.30

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
SCHEMBL30039683 0.74 CYP17A1 (0.34) ALDH1A1P2RX7
SCHEMBL30038679 0.68 HSP90AA1 (0.34) L3MBTL1ALDH1A1PRNPSRCAMY1A
SCHEMBL24638023 0.66 KDM4E (0.46) L3MBTL1ALDH1A1S100BMEN1GAA
SCHEMBL23702268 0.65 MEN1 (0.43) L3MBTL1ALDH1A1PRNPSRCMEN1
SCHEMBL2270840 0.63 FGFR1 (0.56) L3MBTL1ALDH1A1PRNPSRCMEN1
SCHEMBL26655062 0.62 FGFR1 (0.43) L3MBTL1ALDH1A1PRNPSRCMEN1
SCHEMBL34475643 0.62 NQO2 (0.41) L3MBTL1ALDH1A1PRNPMEN1POLB
SCHEMBL24529684 0.62 NQO2 (0.41) L3MBTL1ALDH1A1PRNPMEN1POLB
SCHEMBL9678363 0.60 TUBB1 (0.40) L3MBTL1AMY1APOLB
SCHEMBL22323913 0.58 HDAC6 (0.48) L3MBTL1ALDH1A1SRCMEN1KMT2A

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-20240246968-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME LLC 2024-07-25 — — 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-20240246968-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT KRAS, NRAS, HRAS CGAS 1910/4885L3MBTL1 3744/4885ALDH1A1 3065/4885

“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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