SCHEMBL12307564

SCHEMBL12307564

COc1cccc(N2CCn3nc(NC(C)=O)cc32)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 4/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ ADORA2B P29275 2/20 0.47
▸ ADORA2A P29274 3/20 0.45
▸ PIK3CG P48736 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ MTNR1A P48039 2/20 0.41
▸ MTNR1B P49286 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 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
SCHEMBL12307484 0.89 KMT2A (0.40) ADORA1ADORA3ADORA2ACYP3A4NPSR1
SCHEMBL12307618 0.87 KMT2A (0.45) NPC1RAB9ASMN1; SMN2HTTTSHR
SCHEMBL12307565 0.85 MAPT (0.49) ADORA1ADORA3ADORA2BADORA2ACYP3A4
SCHEMBL12307664 0.84 ADORA2A (0.53) ADORA1ADORA2ACYP3A4NPC1RAB9A
SCHEMBL12334183 0.83 ADORA2A (0.40) ADORA1ADORA2ANPC1RAB9ASMN1; SMN2
SCHEMBL12307755 0.83 EGFR (0.50) MTNR1AMTNR1BSMN1; SMN2TSHRKMT2A
SCHEMBL12307703 0.82 ADORA2A (0.46) ADORA1ADORA2BADORA2ANPC1RAB9A
SCHEMBL12307674 0.82 KCNQ2 (0.49) CYP3A4RAB9ASMN1; SMN2TSHRKMT2A
SCHEMBL12334773 0.82 ADORA2A (0.39) ADORA1ADORA2ANPSR1NPC1RAB9A
SCHEMBL12307744 0.80 EGFR (0.43) MTNR1AMTNR1BNPSR1RAB9ASMN1; SMN2

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-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-22 — — US disclosed
US-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-22 — — 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-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY PIK3R5, PIK3R4, PIK3R1 ADORA1 3508/4885ADORA3 2942/4885ADORA2B 4497/4885

“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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