SCHEMBL12307510

SCHEMBL12307510

CNC(=O)Nc1cc2n(n1)CCN2c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.40
▸ PTGS2 P35354 4/20 0.38
▸ EPHX2 P34913 3/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ TNIK Q9UKE5 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ AKR1C3 P42330 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL12307611 0.89 DRD2 (0.37) —
SCHEMBL12307527 0.85 ALDH1A1 (0.42) KMT2AALDH1A1MAPTRAB9A
SCHEMBL12307398 0.84 GCK (0.40) KMT2AALDH1A1MAPTRAB9A
SCHEMBL12307522 0.84 ALDH1A1 (0.38) KMT2AKDM4EALDH1A1MAPTGAA
SCHEMBL12307566 0.83 GRM5 (0.35) —
SCHEMBL12307539 0.83 MEN1 (0.42) KMT2AKDM4EALDH1A1PKMMAPT
SCHEMBL12307581 0.83 BRD4 (0.38) EPHX2KMT2AKDM4EALDH1A1
SCHEMBL12307589 0.81 F10 (0.36) KDM4EALDH1A1LMNAGAA
SCHEMBL12307596 0.80 MAPK13 (0.38) KMT2ALMNAMAPTRAB9AAKR1C3
SCHEMBL12307489 0.79 KMT2A (0.39) KMT2AALDH1A1LMNAPKMMAPT

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 AOC3 4051/4885PTGS2 1189/4885EPHX2 3519/4885

“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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