SCHEMBL12307393

SCHEMBL12307393

CNC(=O)Nc1cc2n(n1)CCN2C(=O)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LMNA P02545 1/20 0.39
▸ GCK P35557 3/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ GRM4 Q14833 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ KDR P35968 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ FLT3 P36888 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL12307391 0.84 GRM5 (0.45) GCKALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL12307459 0.83 GRM5 (0.37) LMNAGCKALDH1A1TSHRMAPT
SCHEMBL12307442 0.82 GRM5 (0.39) L3MBTL1LMNAGCKALDH1A1NPC1
SCHEMBL12307447 0.81 ALDH1A1 (0.38) LMNAALDH1A1TSHRNPC1GAA
SCHEMBL12307479 0.81 PLK1 (0.41) LMNAALDH1A1NPC1MAPTRAB9A
SCHEMBL12307453 0.81 ALDH1A1 (0.46) ALDH1A1TSHRNPC1RAB9AGAA
SCHEMBL12307509 0.80 GRM5 (0.41) GCKALDH1A1MAPTFLT3NTRK1
SCHEMBL12307445 0.79 STAT3 (0.45) LMNAALDH1A1TSHRPKM
SCHEMBL12307471 0.78 GRM5 (0.37) LMNAGCKALDH1A1SMN1; SMN2
SCHEMBL12307481 0.78 TP53 (0.46) LMNAGCKNPC1RAB9ANFKB1

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 L3MBTL1 3098/4885LMNA 4560/4885GCK 1876/4885

“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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