SCHEMBL20436656

SCHEMBL20436656

CCc1cccc(Cn2cc(-c3cc(-c4cccc(C#N)c4)nc(N[C@H]4CC[C@H](O)CC4)n3)nn2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.43
▸ PIM1 P11309 1/20 0.41
▸ ADORA2A P29274 6/20 0.40
▸ ADORA2B P29275 5/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ ITK Q08881 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34

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
SCHEMBL20436631 0.97 ADORA2A (0.40) CDK1PIM1ADORA2AADORA2BADORA1
SCHEMBL20436652 0.94 ADORA2A (0.39) CDK1ADORA2AADORA2BADORA1HDAC6
SCHEMBL20417203 0.91 CDK1 (0.40) CDK1PIM1ADORA2AADORA2BADORA1
SCHEMBL20401267 0.91 CDK1 (0.40) CDK1PIM1ADORA2AADORA2BADORA1
SCHEMBL20416750 0.91 CDK1 (0.40) CDK1PIM1ADORA2AADORA2BADORA1
SCHEMBL30401965 0.91 CDK1 (0.40) CDK1PIM1ADORA2AADORA2BADORA1
SCHEMBL20436655 0.88 MAPK1 (0.37) ADORA2AADORA2BADORA1HDAC6HDAC2
SCHEMBL20436642 0.88 MAPK1 (0.37) ADORA2AADORA2BADORA1HDAC6HDAC2
SCHEMBL30402199 0.88 ADORA2A (0.37) CDK1PIM1ADORA2AADORA2BADORA1
SCHEMBL20400921 0.88 ADORA2A (0.37) CDK1PIM1ADORA2AADORA2BADORA1

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 CDK1 285/4885PIM1 4584/4885ADORA2A 1/4885

“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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