SCHEMBL23529797

SCHEMBL23529797

CC(C)(C)[Si](C)(C)OCc1[nH]nc(-c2cccnc2)c1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ MAP2K4 P45985 1/20 0.40
▸ PIM1 P11309 4/20 0.37
▸ AXL P30530 1/20 0.36
▸ ALPL P05186 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ TTK P33981 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP2A6 P11509 2/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 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
SCHEMBL29804364 1.00 IDO1 (0.40) IDO1LRRK2MAP2K4PIM1AXL
SCHEMBL23529799 0.73 CYP2C19 (0.58) PIM1ALKALDH1A1CYP2A6KIF11
SCHEMBL29804344 0.73 CYP2C19 (0.58) PIM1ALKALDH1A1CYP2A6KIF11
SCHEMBL38654767 0.69 L3MBTL1 (0.40) ALDH1A1CYP2A6KIF11CYP1A2CYP2C19
SCHEMBL5398670 0.69 CHRNB2 (0.44) CYP2A6CYP1A2TDP1CYP2D6
SCHEMBL21026893 0.65 GPR84 (0.39) CYP1A2CYP2C19
SCHEMBL29804465 0.65 IDO1 (0.49) IDO1LRRK2MAP2K4PIM1AXL
SCHEMBL23533603 0.65 IDO1 (0.49) IDO1LRRK2MAP2K4PIM1AXL
SCHEMBL30542272 0.63 CHRNB2 (0.55) CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL2124896 0.61 CYP2A6 (0.48) IDO1LRRK2MAP2K4PIM1AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4344702-B1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2026-01-28 — — EP disclosed
EP-4344702-A2 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS Novartis AG (CH) 2024-04-03 — — EP disclosed
EP-4076662-B1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2024-01-31 — — EP disclosed
US-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents NOVARTIS AG (CH) 2023-07-18 — — US disclosed
US-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents NOVARTIS AG (CH) 2023-07-18 — — US disclosed
US-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents NOVARTIS AG (CH) 2023-07-18 — — US disclosed
US-20220363670-A1 Pyrazolyl derivatives useful as anti-cancer agents NOVARTIS AG (CH) 2022-11-17 — — US disclosed
CN-114929342-A Pyrazolyl derivatives as anticancer agents 诺华股份有限公司 2022-08-19 — — CN disclosed
WO-2021124222-A1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-06-24 — — WO disclosed
WO-2021120890-A1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-06-24 — — 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-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents PAK5, CYP51A1, SF3B5 IDO1 923/4885LRRK2 1475/4885MAP2K4 1180/4885
US-20220363670-A1 Pyrazolyl derivatives useful as anti-cancer agents PAK5, CYP51A1, SF3B5 IDO1 923/4885LRRK2 1475/4885MAP2K4 1180/4885

“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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