SCHEMBL12307484

SCHEMBL12307484

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ GCK P35557 1/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38

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 0.89 ADORA1 (0.47) KMT2ACYP3A4ADORA2AADORA1NPSR1
SCHEMBL12307539 0.89 MEN1 (0.42) KMT2AMEN1CYP2C9JAK1NPC1
SCHEMBL12307489 0.87 KMT2A (0.39) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL12334409 0.86 SMN1; SMN2 (0.37) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL12307530 0.86 MEN1 (0.34) KMT2AMEN1CYP1A2ALDH1A1LMNA
SCHEMBL12307398 0.86 GCK (0.40) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL12307500 0.86 GCK (0.42) GCK
SCHEMBL12307524 0.85 ALDH1A1 (0.42) KMT2AJAK1NPSR1HTTALDH1A1
SCHEMBL12307511 0.84 ALDH1A1 (0.43) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL12307586 0.84 KMT2A (0.40) KMT2AMEN1NPC1RAB9AHTT

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 1723/4885CYP1A2 2403/4885

“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.

Send feedback