SCHEMBL12334183

SCHEMBL12334183

COc1cccc(N2CCn3nc(NC(=O)c4ccc[nH]4)cc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ MAPT P10636 6/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ TP53 P04637 1/20 0.37

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
SCHEMBL12307564 0.83 ADORA1 (0.47) ADORA2AADORA1NPC1RAB9ALMNA
SCHEMBL12334185 0.82 ADORA2A (0.38) ADORA2AADORA1MAPTNPC1RAB9A
SCHEMBL12307484 0.81 KMT2A (0.40) ADORA2AADORA1NPC1RAB9ALMNA
SCHEMBL12307664 0.81 ADORA2A (0.53) ADORA2AADORA1MAPTNPC1RAB9A
SCHEMBL12334773 0.81 ADORA2A (0.39) ADORA2AADORA1MAPTNPC1RAB9A
SCHEMBL12334713 0.78 KMT2A (0.43) ADORA2AADORA1MAPTRAB9ALMNA
SCHEMBL12307755 0.77 EGFR (0.50) MAPTLMNASMN1; SMN2TP53KDM4E
SCHEMBL12307703 0.76 ADORA2A (0.46) ADORA2AADORA1MAPTNPC1RAB9A
SCHEMBL12307674 0.75 KCNQ2 (0.49) MAPTRAB9ASMN1; SMN2CCNA2CDK2
SCHEMBL12307744 0.74 EGFR (0.43) MAPTRAB9ASMN1; SMN2HPGDTP53

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-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 ADORA2A 4098/4885ADORA1 3508/4885MAPT 4347/4885

“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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