SCHEMBL12307919

SCHEMBL12307919

CN1CCc2cc(N3CCn4nc(NC(=O)N5CCCC5)cc43)ccc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ AOC3 Q16853 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCND3 P30281 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CDK6 Q00534 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32

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
SCHEMBL12307713 0.88 GRM5 (0.38) GRM5AOC3CCNT1CDK4CCNA2
SCHEMBL12307774 0.86 GRM5 (0.37) S1PR2GRM5AOC3KCNH2HRH3
SCHEMBL12307789 0.86 ALDH1A1 (0.41) GRM5KCNH2HRH3KMT2AALDH1A1
SCHEMBL12308024 0.85 GRM5 (0.36) S1PR2GRM5AOC3KCNH2HRH3
SCHEMBL12307760 0.84 GRM5 (0.42) GRM5MAPTMEN1KMT2AFLT3
SCHEMBL12307959 0.84 FLT3 (0.37) GRM5AOC3KCNH2HRH3FLT3
SCHEMBL12307833 0.84 ALDH1A1 (0.41) MEN1KMT2AALDH1A1NPC1
SCHEMBL12307829 0.83 KCNH2 (0.37) GRM5KCNH2HRH3MAPTCYP11B1
SCHEMBL12307820 0.83 ROCK2 (0.39) GRM5KCNH2HRH3MAPTCYP11B1
SCHEMBL12308001 0.83 GRM5 (0.37) GRM5KCNH2HRH3NPC1RAB9A

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 S1PR2 3180/4885GRM5 1849/4885AOC3 4051/4885

“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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