SCHEMBL20436674

SCHEMBL20436674

CCc1cccc(Cn2cc(-c3cc(-c4cccc(C#N)c4)nc(NC(=O)C4CCCO4)n3)nn2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ USP30 Q70CQ3 2/20 0.38
▸ ADORA2A P29274 3/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2B P29275 1/20 0.37
▸ ELOVL1 Q9BW60 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ CDC7 O00311 1/20 0.35
▸ DAPK3 O43293 1/20 0.35

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
SCHEMBL20436675 0.98 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10NPC1MAPT
SCHEMBL20401331 0.93 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10NPC1MAPT
SCHEMBL30401911 0.93 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10NPC1MAPT
SCHEMBL20401393 0.91 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10NPC1MAPT
SCHEMBL30401927 0.91 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10NPC1MAPT
SCHEMBL20436671 0.86 ADORA2A (0.43) ADORA2AADORA1ADORA3ADORA2BCDC7
SCHEMBL20436656 0.83 CDK1 (0.43) ADORA2AADORA1ADORA2BMAPK1CDK2
SCHEMBL20436677 0.83 ADORA2A (0.45) ADORA2AADORA1ADORA2BCDC7DAPK3
SCHEMBL20436652 0.83 ADORA2A (0.39) KDM4EADORA2AADORA1ADORA2B
SCHEMBL20436631 0.83 ADORA2A (0.40) ADORA2AADORA1ADORA2B

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 ALDH1A1 679/4885HPGD 987/4885HSD17B10 3349/4885

“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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