SCHEMBL26709368

SCHEMBL26709368

CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)nc(Cl)c1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ATR Q13535 1/20 0.39
▸ CYP17A1 P05093 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ IGF1R P08069 4/20 0.36
▸ KCNQ4 P56696 1/20 0.36
▸ KCNQ5 Q9NR82 1/20 0.36
▸ CACNA1H O95180 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ MAPKAPK2 P49137 2/20 0.35
▸ LCK P06239 2/20 0.35
▸ AAK1 Q2M2I8 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.34

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
SCHEMBL27141821 0.86 ATR (0.42) RXFP1ATRCYP17A1KCNQ4KCNQ5
SCHEMBL25137117 0.84 ATR (0.40) RXFP1ATRCYP17A1LMNAPOLB
SCHEMBL25136736 0.84 ATR (0.40) RXFP1ATRCYP17A1MAPKAPK2LCK
SCHEMBL25136697 0.83 ATR (0.40) RXFP1ATRCYP17A1KCNQ4KCNQ5
SCHEMBL31323628 0.79 MAPKAPK2 (0.40) ATRCYP17A1POLBMAPKAPK2LCK
SCHEMBL23608433 0.77 SMARCA2 (0.44) RXFP1ATRCYP17A1MAPKAPK2LCK
SCHEMBL29818315 0.77 SMARCA2 (0.44) RXFP1ATRCYP17A1MAPKAPK2LCK
SCHEMBL25136933 0.76 CYP17A1 (0.36) RXFP1ATRCYP17A1KCNQ4KCNQ5
SCHEMBL25136815 0.76 ATR (0.40) RXFP1ATRCYP17A1MAPKAPK2LCK
SCHEMBL23592933 0.76 ATF1 (0.41) RXFP1ATRLMNAPOLBCACNA1H

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-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 — — US disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 — — US 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-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS RXFP1 4480/4885ATR 1225/4885CYP17A1 278/4885

“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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