SCHEMBL12307586

SCHEMBL12307586

CNC(=O)Nc1cc2n(n1)CCN2c1cccc(C(C)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ALOX5 P09917 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ ATM Q13315 1/20 0.36
▸ HTT P42858 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.34

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
SCHEMBL12307511 0.91 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1KDM4ETP53
SCHEMBL12307489 0.87 KMT2A (0.39) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL12307530 0.86 MEN1 (0.34) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL12334409 0.86 SMN1; SMN2 (0.37) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12307398 0.86 GCK (0.40) KMT2AMEN1ALDH1A1HTTNPC1
SCHEMBL12307504 0.86 ALOX5 (0.43) KMT2AMEN1ALOX5ALDH1A1ATM
SCHEMBL12307484 0.84 KMT2A (0.40) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL12307611 0.83 DRD2 (0.37) TDP1
SCHEMBL12307576 0.82 ITGB3 (0.38) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL12307501 0.81 HDAC1 (0.41) TP53NPC1RAB9ATSHRMAPT

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 3 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
EP-2327704-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY Shionogi&Co., Ltd. (JP) 2011-06-01 — — EP 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 KMT2A 2170/4885MEN1 1723/4885ALOX5 2454/4885

“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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