SCHEMBL20436391

SCHEMBL20436391

CCc1cccc(Cn2cc(-c3cc(-c4cccc(C(F)(F)F)c4)nc(N)n3)nn2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR55 Q9Y2T6 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ KDR P35968 1/20 0.48
▸ TEK Q02763 1/20 0.48
▸ ADORA2A P29274 12/20 0.47
▸ ADORA2B P29275 10/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ TLR8 Q9NR97 1/20 0.43
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ XDH P47989 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL30401467 0.90 GPR55 (0.53) GPR55MEN1KMT2AKDRTEK
SCHEMBL20401454 0.90 GPR55 (0.53) GPR55MEN1KMT2AKDRTEK
SCHEMBL20436386 0.89 ADORA2A (0.55) GPR55MEN1KMT2AADORA2AADORA2B
SCHEMBL20436401 0.87 ADORA2A (0.47) ADORA2AADORA2BADORA1TLR8
SCHEMBL20436694 0.87 ADORA2A (0.50) MEN1KMT2AADORA2AADORA2BADORA1
SCHEMBL20436398 0.86 ADORA2A (0.50) KDRTEKADORA2AADORA2BADORA1
SCHEMBL20436404 0.86 ADORA2A (0.48) ADORA2AADORA2BADORA1
SCHEMBL20436405 0.86 ADORA2A (0.46) GPR55ADORA2AADORA2BADORA1CTSS
SCHEMBL20436400 0.85 ADORA2A (0.47) KDRTEKADORA2AADORA2BADORA1
SCHEMBL20436399 0.84 ADORA2A (0.49) GPR55ADORA2AADORA2BADORA1TLR8

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-20180215730-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. 2018-08-02 — — 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-20180215730-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ADORA2A, ADORA2B, ADORA1 GPR55 170/4885MEN1 3139/4885KMT2A 949/4885

“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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