SCHEMBL26058913

SCHEMBL26058913

CC(C)(C)c1c(Cl)c(F)cc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.35
▸ CYP2A6 P11509 3/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ TRPM4 Q8TD43 1/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ KCNQ3 O43525 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
SCHEMBL24449220 0.76 CYP1A2 (0.39) HPRT1CYP2A6L3MBTL1CYP1A2ALDH1A1
SCHEMBL24859351 0.76 ALDH1A1 (0.44) CYP2A6L3MBTL1CYP1A2ALDH1A1HIF1A
SCHEMBL24175934 0.76 CYP2A6 (0.47) HPRT1CYP2A6L3MBTL1CYP1A2ALDH1A1
SCHEMBL8220621 0.74 POLB (0.31) —
SCHEMBL15853168 0.73 ALDH1A1 (0.44) HPRT1CYP2A6L3MBTL1CYP1A2ALDH1A1
SCHEMBL16219581 0.72 CYP1A2 (0.35) HPRT1CYP2A6L3MBTL1CYP1A2ALDH1A1
SCHEMBL29195181 0.72 POLB (0.39) HPRT1CYP2A6L3MBTL1CYP1A2ALDH1A1
SCHEMBL11298213 0.72 PTPN22 (0.42) HPRT1CYP2A6L3MBTL1ALDH1A1HIF1A
SCHEMBL17030754 0.71 TRPM4 (0.47) CYP2A6CYP1A2ALDH1A1HIF1AHSD17B10
SCHEMBL24176031 0.71 AKR1C3 (0.35) HPRT1CYP2A6L3MBTL1CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-08-03 — — 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-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS HPRT1 2235/4885CYP2A6 3692/4885L3MBTL1 4725/4885

“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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