SCHEMBL24802913

SCHEMBL24802913

COc1c(Cl)cc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ CYP4F2 P78329 2/20 0.36
▸ CYP4A11 Q02928 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ATR Q13535 1/20 0.35
▸ PDE1A P54750 5/20 0.34
▸ PDE1B Q01064 5/20 0.34
▸ PDE1C Q14123 5/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34
▸ RET P07949 1/20 0.33
▸ SLC6A3 Q01959 4/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 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
SCHEMBL31527186 0.86 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21196016 0.85 CYP4F2 (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29937567 0.85 CYP4F2 (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29804208 0.84 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21196028 0.84 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31642674 0.84 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31127858 0.83 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959175 0.83 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL24535803 0.82 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31527099 0.82 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317721-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2024-09-26 — — US disclosed
EP-4359081-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN Novartis AG (CH) 2024-05-01 — — EP disclosed
CN-117425649-A Pyrazole derivatives as KRAS mutein inhibitors 诺华股份有限公司 2024-01-19 — — CN disclosed
WO-2022269508-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2022-12-29 — — WO disclosed
WO-2022269508-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2022-12-29 — — 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-20240317721-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN KRAS, NRAS, APC RXRA 4560/4885RXRB 4368/4885RXRG 4527/4885

“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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