SCHEMBL20481591

SCHEMBL20481591

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cnc(N3CCOCC3)c(C#N)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 10/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ ABL1 P00519 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ WDR5 P61964 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ PIK3R1 P27986 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ RAF1 P04049 2/20 0.38
▸ BRAF P15056 2/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE11A Q9HCR9 1/20 0.38

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
SCHEMBL18113859 0.86 ABL1 (0.41) ABL1PIK3CA
SCHEMBL18113809 0.85 POLQ (0.44) ADORA2AADORA1WDR5RAF1BRAF
SCHEMBL18113952 0.83 MTOR (0.42) ADORA2AADORA1RAF1BRAF
SCHEMBL18113910 0.81 BRAF (0.45) RAF1BRAF
SCHEMBL18113934 0.81 ADORA2A (0.41) ADORA2AADORA1ALDH1A1ADORA3ADORA2B
SCHEMBL18113904 0.80 POLQ (0.40) ABL1ADORA3
SCHEMBL20481615 0.79 POLQ (0.39) ABL1PIK3CA
SCHEMBL18113848 0.79 ADORA2A (0.39) ADORA2AADORA1ADORA3ADORA2BRAF1
SCHEMBL18113822 0.79 ADORA2A (0.42) ADORA2AADORA1ADORA3ADORA2BPIK3R1
SCHEMBL18113738 0.77 GRM5 (0.33) ABL1PIK3CAPDE4B

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-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 — — US claimed
US-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 — — 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-20180243298-A1 TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 ADORA2A 1165/4885ADORA1 600/4885ABL1 4491/4885

“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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