SCHEMBL26536752

SCHEMBL26536752

Clc1c(Br)c2c(c3ccc(OC[C@H]4CCCO4)nc13)COC2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.37
▸ ATRIP Q8WXE1 1/20 0.37
▸ KRAS P01116 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GPR84 Q9NQS5 8/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ GRM4 Q14833 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL30776601 1.00 ATR (0.37) ATRATRIPKRASNPC1RAB9A
SCHEMBL30776438 0.84 HRH3 (0.43) —
SCHEMBL26536755 0.84 HRH3 (0.43) —
SCHEMBL30776482 0.82 KRAS (0.31) KRAS
SCHEMBL26536948 0.82 KRAS (0.31) KRAS
SCHEMBL30776396 0.79 CHRNB2 (0.43) —
SCHEMBL26537172 0.79 CHRNB2 (0.43) —
SCHEMBL30776548 0.78 — —
SCHEMBL30776452 0.76 ERBB2 (0.36) ATR
SCHEMBL26536947 0.76 ERBB2 (0.36) ATR

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-20240043451-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2024-02-08 — — US disclosed
WO-2023183585-A1 KRAS INHIBITORS ELI LILLY AND COMPANY (US) 2023-09-28 — — 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-20240043451-A1 KRAS INHIBITORS KRAS, NRAS, HRAS ATR 1005/4885ATRIP 2518/4885KRAS 1/4885

“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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