SCHEMBL31093709

SCHEMBL31093709

Cc1nn(C2CCCCO2)c2cccc(C(O)c3ncc(Cl)cc3NC(=O)OC(C)(C)C)c12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.33
RORC P51449 6/20 0.32
S1PR3 Q99500 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
IDO1 P14902 1/20 0.32
BRAF P15056 1/20 0.31
BRD4 O60885 1/20 0.30
ATR Q13535 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
KRAS P01116 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
SCHEMBL31093802 0.84 NR3C1 (0.37) NR3C1RORCDGAT2IDO1BRD4
SCHEMBL30861007 0.81 BRD9 (0.37) NR3C1RORCDGAT2BRD4ATR
SCHEMBL31093895 0.74 ATR (0.36) NR3C1RORCDGAT2IDO1ATR
SCHEMBL31093724 0.69 DHPS (0.39) S1PR3IDO1
SCHEMBL27227929 0.69 RXRA (0.38) NR3C1DGAT2CYP4F2CYP4A11
SCHEMBL31093693 0.67 ATR (0.35) NR3C1RORCS1PR3BRAFATR
SCHEMBL15208344 0.67 HTR2C (0.43) DGAT2ATRCYP4F2CYP4A11KRAS
SCHEMBL25420259 0.66 ATR (0.35) RORCDGAT2BRAFATRCYP4F2
SCHEMBL30950290 0.66 CYP4F2 (0.41) DGAT2CYP4F2CYP4A11
SCHEMBL26913256 0.65 FGFR1 (0.37) BRAFKRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078122-A1 INDAZOLE COMPOUNDS AS PKMYT1 KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2026-03-19 US disclosed
EP-4673436-A1 INDAZOLE COMPOUNDS AS PKMYT1 KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2026-01-07 EP disclosed
WO-2024179948-A1 INDAZOLE COMPOUNDS AS PKMYT1 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-09-06 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-20260078122-A1 INDAZOLE COMPOUNDS AS PKMYT1 KINASE INHIBITORS PKN3, PKMYT1, IP6K3 NR3C1 1638/4885RORC 2507/4885S1PR3 1414/4885

“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.