SCHEMBL12307597

SCHEMBL12307597

CNC(=O)Nc1cc2n(n1)CCN2c1ccc2ncccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GSK3B P49841 1/20 0.40
▸ ABL1 P00519 3/20 0.38
▸ AXL P30530 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ PTK2B Q14289 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
SCHEMBL12532993 0.89 PLK1 (0.39) PLK1NPC1POLBMAPTMEN1
SCHEMBL12307596 0.86 MAPK13 (0.38) NPC1POLBMAPTMEN1KMT2A
SCHEMBL12307610 0.80 PRMT3 (0.40) ABL1
SCHEMBL12307398 0.80 GCK (0.40) NPC1MAPTMEN1KMT2AALDH1A1
SCHEMBL12307501 0.80 HDAC1 (0.41) NPC1MAPTHDAC1RAB9A
SCHEMBL12307489 0.79 KMT2A (0.39) NPC1MAPTMEN1KMT2AALDH1A1
SCHEMBL12307566 0.79 GRM5 (0.35) ABL1
SCHEMBL12307530 0.78 MEN1 (0.34) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL12334409 0.78 SMN1; SMN2 (0.37) NPC1MAPTMEN1KMT2AALDH1A1
SCHEMBL12307509 0.78 GRM5 (0.41) POLBMAPTMEN1KMT2AALDH1A1

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 PLK1 1774/4885NPC1 1669/4885POLB 3114/4885

“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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