SCHEMBL12307455

SCHEMBL12307455

CNC(=O)Nc1cc2n(n1)CCN2C(=O)c1cccc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ELANE P08246 2/20 0.41

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
SCHEMBL12307444 0.86 ALDH1A1 (0.41) ALDH1A1CA12CA1CA2CA7
SCHEMBL12335625 0.86 HPGD (0.42) L3MBTL1HPGDNPC1RAB9AELANE
SCHEMBL12307462 0.86 GRM5 (0.38) MGLLGRM5
SCHEMBL12307478 0.86 GRM5 (0.40) KMT2AHSD17B10L3MBTL1ALDH1A1HPGD
SCHEMBL12307391 0.86 GRM5 (0.45) MAPTKMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL12307458 0.84 GRM5 (0.41) SMN1; SMN2NPC1RAB9AELANEGRM5
SCHEMBL12307477 0.83 SIGMAR1 (0.44) MAPTKMT2AALDH1A1RAB9AGRM5
SCHEMBL12307476 0.83 STAT3 (0.35) MAPTSMN1; SMN2L3MBTL1ALDH1A1GRM5
SCHEMBL12307484 0.82 KMT2A (0.40) KMT2AALDH1A1CA12CA1CA2
SCHEMBL12307494 0.82 GRM5 (0.58) L3MBTL1ALDH1A1HPGDCA12CA1

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 MAPT 4347/4885KMT2A 2170/4885HSD17B10 811/4885

“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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