SCHEMBL25669490

SCHEMBL25669490

Cc1ccc2c(c(C)nn2C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ MAPK8 P45983 5/20 0.35
▸ MAPK9 P45984 4/20 0.35
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPK10 P53779 3/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPK13 O15264 1/20 0.32
▸ EIF2AK2 P19525 1/20 0.32
▸ MAPK12 P53778 1/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ PARP1 P09874 2/20 0.31
▸ DAO P14920 1/20 0.31
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ MAP4K4 O95819 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
SCHEMBL19084436 0.80 MEN1 (0.32) ADORA2AADORA2BMAPK13EIF2AK2MAPK12
SCHEMBL25714211 0.80 NOS3 (0.36) ADORA2AADORA2BMAPK8MAPK9MAPT
SCHEMBL25672732 0.80 DAO (0.33) ADORA2AADORA2BMAPTKDM4EMAPK13
SCHEMBL17673728 0.78 NOS3 (0.30) DAO
SCHEMBL21566642 0.77 ADORA2A (0.37) ADORA2AADORA2BMAPK8MAPK9MAPT
SCHEMBL12536276 0.75 MAPK13 (0.42) ADORA2AADORA2BMAPTLMNATP53
SCHEMBL18540686 0.72 ADORA2A (0.39) ADORA2AADORA2BMAPK8MAPK9MAPT
SCHEMBL16380219 0.71 ADORA2A (0.42) ADORA2AADORA2BMAPK8MAPK9MAPT
SCHEMBL12258288 0.69 TSHR (0.43) ADORA2AADORA2BMAPTLMNATSHR
SCHEMBL18540685 0.69 MAPT (0.38) ADORA2AADORA2BMAPK8MAPK9MAPT

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-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 — — 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-20230203018-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS ADORA2A 3248/4885ADORA2B 1010/4885MAPK8 734/4885

“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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