SCHEMBL26577996

SCHEMBL26577996

CCc1c(C)ccc2[nH]nc(NC)c12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.35
▸ GRM4 Q14833 6/20 0.32
▸ NOS3 P29474 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MCHR1 Q99705 1/20 0.31
▸ NTRK1 P04629 1/20 0.30
▸ USP7 Q93009 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
SCHEMBL22924111 0.86 MAPK1 (0.36) ADRA2AGRM4NOS3NOS2MAPK1
SCHEMBL25702356 0.80 NOS3 (0.35) NOS3NOS2MAPK1
SCHEMBL25667671 0.80 ADRA2A (0.38) ADRA2AGRM4MAPK1MCHR1
SCHEMBL24322401 0.77 NOS2 (0.44) NOS3NOS2NTRK1
SCHEMBL22328047 0.77 NOS3 (0.33) NOS3NOS2MAPK1
SCHEMBL23588699 0.77 NOS3 (0.33) GRM4NOS3NOS2MAPK1
SCHEMBL22328045 0.74 ADRA2A (0.35) ADRA2AGRM4MAPK1
SCHEMBL25696136 0.74 MAPK1 (0.36) ADRA2AGRM4MAPK1MCHR1
SCHEMBL25702607 0.72 TLR8 (0.31) GRM4NOS3NOS2
SCHEMBL19115954 0.71 JAK2 (0.41) NOS3NOS2MAPK1NTRK1

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-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS ARAXES PHARMA LLC (US) 2023-05-02 — — 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-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS KRAS, NRAS, HRAS ADRA2A 392/4885GRM4 3480/4885NOS3 3345/4885

“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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