SCHEMBL12307491

SCHEMBL12307491

CNC(=O)Nc1cc2n(n1)CCN(C(=O)c1ccc(OC)cc1)C2

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.64
▸ GRM5 P41594 10/20 0.48
▸ HPGD P15428 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ABL1 P00519 2/20 0.42
▸ BCR P11274 2/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL12307494 0.89 GRM5 (0.58) HDAC6GRM5HPGDALDH1A1L3MBTL1
SCHEMBL12307409 0.87 GRM5 (0.60) HDAC6GRM5
SCHEMBL12307490 0.87 GRM5 (0.56) HDAC6GRM5MEN1KMT2A
SCHEMBL12307498 0.86 HDAC6 (0.48) HDAC6GRM5
SCHEMBL12307493 0.81 HTT (0.49) HDAC6GRM5ALDH1A1CA12CA1
SCHEMBL12307496 0.81 GRM5 (0.47) HDAC6GRM5
SCHEMBL2517932 0.79 HDAC6 (0.78) HDAC6GRM5HPGDALDH1A1L3MBTL1
SCHEMBL2523838 0.78 HDAC6 (1.00) HDAC6GRM5HPGDALDH1A1L3MBTL1
SCHEMBL12307497 0.78 SIGMAR1 (0.50) GRM5ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL12307495 0.78 GRM5 (0.44) HDAC6GRM5

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 HDAC6 1429/4885GRM5 1849/4885HPGD 3240/4885

“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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