SCHEMBL12307659

SCHEMBL12307659

CN(C)C(=O)CCC(=O)Nc1cc2n(n1)CCN2c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CACNA1G O43497 3/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ EGFR P00533 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
SCHEMBL12307675 0.86 HTR1A (0.40) ALDH1A1MAPTTHRBCACNA1GDRD2
SCHEMBL12307669 0.84 POLB (0.39) ALDH1A1MAPTTHRBCACNA1GKMT2A
SCHEMBL12307660 0.83 CACNA1G (0.40) ALDH1A1MAPTCACNA1GKMT2AEGFR
SCHEMBL12307618 0.81 KMT2A (0.45) ALDH1A1MAPTHSD17B10KMT2A
SCHEMBL12307663 0.81 KCNQ2 (0.54) ALDH1A1CACNA1GKMT2A
SCHEMBL12307489 0.79 KMT2A (0.39) ALDH1A1MAPTHSD17B10KMT2A
SCHEMBL12334182 0.78 PARP1 (0.38) ALDH1A1MAPTDRD2DRD3HSD17B10
SCHEMBL12307647 0.78 USP2 (0.48) ALDH1A1KMT2AEGFR
SCHEMBL12307674 0.77 KCNQ2 (0.49) ALDH1A1MAPTCACNA1GDRD2DRD3
SCHEMBL12307639 0.76 KMT2A (0.44) ALDH1A1MAPTKMT2A

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 ALDH1A1 3559/4885MAPT 4347/4885THRB 3888/4885

“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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