SCHEMBL31127780

SCHEMBL31127780

Clc1cc2c(cnn2C2CCCCO2)c(Br)c1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ RET P07949 4/20 0.36
▸ CYP4F2 P78329 2/20 0.35
▸ CYP4A11 Q02928 2/20 0.35
▸ ATR Q13535 2/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ YTHDC1 Q96MU7 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
SCHEMBL25372861 1.00 RXRA (0.39) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL30959314 0.96 RXRA (0.39) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL29804208 0.86 RXRA (0.41) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL21196028 0.86 RXRA (0.41) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL31527282 0.86 RXRA (0.37) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL31642882 0.86 RXRA (0.37) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL31127777 0.86 RXRA (0.37) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL24535801 0.86 RXRA (0.37) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL31643015 0.86 RXRA (0.37) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL31127821 0.86 RXRA (0.37) RXRARXRBRXRGALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122029171-A Small molecule inhibitors of KRAS proteins 默沙东有限责任公司 2026-05-12 — — CN disclosed
EP-4688788-A1 PYRIDO[4,3-D]PYRIMIDINE COMPOUNDS Pfizer Inc. (US) 2026-02-11 — — EP disclosed
WO-2025235740-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2025-11-13 — — WO disclosed
WO-2025217319-A1 RAS INHIBITORS AND METHODS OF USE THEREOF KESTREL THERAPEUTICS INC. (US) 2025-10-16 — — WO disclosed
WO-2025136346-A1 INDAZOLE CONTAINING COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2025-06-26 — — WO disclosed
WO-2025085748-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2025-04-24 — — WO disclosed
WO-2025076523-A1 RAS INHIBITORS AND METHODS OF USE THEREOF KESTREL THERAPEUTICS, INC. (US) 2025-04-10 — — WO disclosed
US-20250034173-A1 PYRIDO[4,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2025-01-30 — — US disclosed
WO-2024209339-A1 PYRIDO[4,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2024-10-10 — — WO disclosed
US-20240336631-A1 Pyrido[4,3-d]pyrimidine Compounds PFIZER INC. (US) 2024-10-10 — — US disclosed
CN-118715215-A Quinazoline compounds as inhibitors of mutant KRAS proteins and uses thereof 美国安进公司 2024-09-27 — — CN 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-20240336631-A1 Pyrido[4,3-d]pyrimidine Compounds DPYD, PNPO, TYMP RXRA 1274/4885RXRB 1070/4885RXRG 1502/4885
US-20250034173-A1 PYRIDO[4,3-D]PYRIMIDINE COMPOUNDS DPYD, PNPO, TYMP RXRA 1274/4885RXRB 1070/4885RXRG 1502/4885

“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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