SCHEMBL12307387

SCHEMBL12307387

CC(=O)Nc1cc2n(n1)CCN2C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 7/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MAP4K4 O95819 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ TYRO3 Q06418 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ PIM2 Q9P1W9 1/20 0.43
▸ DYRK1B Q9Y463 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ADORA3 P0DMS8 2/20 0.40
▸ ADORA1 P30542 2/20 0.40

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 0.88 GRM5 (0.45) GRM5ALDH1A1MAPTHPGDKMT2A
SCHEMBL12307390 0.83 GRM5 (0.51) GRM5ALDH1A1MAPTHPGDKMT2A
SCHEMBL12307473 0.81 PLAU (0.42) ALDH1A1MAPTTSHRHTTHPGD
SCHEMBL12307392 0.81 MAPT (0.51) GRM5ALDH1A1MAPTHPGDKMT2A
SCHEMBL12307577 0.80 GRM5 (0.48) GRM5ALDH1A1MAPTTSHRTP53
SCHEMBL12307389 0.80 GRM5 (0.51) GRM5ALDH1A1MAPTTSHRHPGD
SCHEMBL12307457 0.79 TP53 (0.36) GRM5ALDH1A1MAPTHTTADORA3
SCHEMBL12307471 0.79 GRM5 (0.37) GRM5ALDH1A1TP53
SCHEMBL12307565 0.79 MAPT (0.49) ALDH1A1MAP4K4ABL1MAPK8CSNK1A1
SCHEMBL12307478 0.79 GRM5 (0.40) GRM5ALDH1A1HSD17B10L3MBTL1HPGD

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 1849/4885ALDH1A1 3559/4885MAP4K4 487/4885

“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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