SCHEMBL12307494

SCHEMBL12307494

CNC(=O)Nc1cc2n(n1)CCN(C(=O)c1cccc(OC)c1)C2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 7/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.51
▸ ABL1 P00519 3/20 0.49
▸ BCR P11274 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 1/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MGLL Q99685 2/20 0.46
▸ NAMPT P43490 1/20 0.45

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
SCHEMBL12307491 0.89 HDAC6 (0.64) GRM5HDAC6ABL1BCRALDH1A1
SCHEMBL12307496 0.87 GRM5 (0.47) GRM5HDAC6
SCHEMBL12307409 0.86 GRM5 (0.60) GRM5HDAC6
SCHEMBL12307497 0.83 SIGMAR1 (0.50) GRM5ALDH1A1L3MBTL1
SCHEMBL12307495 0.83 GRM5 (0.44) GRM5HDAC6
SCHEMBL12307485 0.82 KMT2A (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL12307490 0.82 GRM5 (0.56) GRM5HDAC6
SCHEMBL12307455 0.82 MAPT (0.46) GRM5ALDH1A1HPGDCA12CA1
SCHEMBL12307498 0.81 HDAC6 (0.48) GRM5HDAC6
SCHEMBL12307493 0.81 HTT (0.49) GRM5HDAC6ALDH1A1CA12CA1

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 GRM5 1849/4885HDAC6 1429/4885ABL1 327/4885

“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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