SCHEMBL20436728

SCHEMBL20436728

CN1CCN(c2cccc(Cn3cc(-c4cc(-c5cccc(C#N)c5)nc(N)n4)nn3)n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ HTR1D P28221 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ HTR7 P34969 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ ADORA2A P29274 10/20 0.46
▸ ADORA2B P29275 7/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ HTR3A P46098 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.41

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
SCHEMBL20436555 0.92 ADORA2A (0.46) ADORA2AADORA2BADORA1LRRK2
SCHEMBL20416648 0.92 ADORA2A (0.46) ADORA2AADORA2BADORA1LRRK2
SCHEMBL20436568 0.92 ADORA2A (0.45) HRH4HTR1AADRA2AADRA2CHTR1D
SCHEMBL20436556 0.91 ADORA2A (0.46) ADORA2AADORA2BADORA1LRRK2
SCHEMBL20416782 0.91 HRH4 (0.48) HRH4HRH3ADORA2AADORA2BADORA1
SCHEMBL20436565 0.90 ADORA2A (0.45) ADORA2AADORA2BADORA1LRRK2
SCHEMBL20436554 0.88 ADORA2A (0.46) ADORA2AADORA2BADORA1
SCHEMBL20436571 0.87 ADORA2A (0.43) HRH4HTR1AADRA2AADRA2CHTR1D
SCHEMBL20436570 0.87 ADORA2A (0.43) HRH4HTR1AADRA2AADRA2CHTR1D
SCHEMBL30402277 0.87 ADORA2A (0.43) ADORA2AADORA2BADORA1

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 HRH4 787/4885HTR1A 590/4885ADRA2A 435/4885

“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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