SCHEMBL12307589

SCHEMBL12307589

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GRIA2 P42262 1/20 0.34
▸ CLK4 Q9HAZ1 3/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ GCK P35557 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ BRD4 O60885 3/20 0.32
▸ BRD2 P25440 3/20 0.32
▸ BRD3 Q15059 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ RARG P13631 2/20 0.32

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
SCHEMBL12307522 0.87 ALDH1A1 (0.38) HPGDKDM4EGCKSMN1; SMN2BRD4
SCHEMBL12307581 0.86 BRD4 (0.38) HPGDKDM4ESMN1; SMN2HTTBRD4
SCHEMBL12307617 0.85 HTT (0.32) SMN1; SMN2HTT
SCHEMBL12307527 0.84 ALDH1A1 (0.42) SMN1; SMN2BRD4BRD2BRD3ALDH1A1
SCHEMBL12307398 0.83 GCK (0.40) GCKSMN1; SMN2HTTTSHRHSD17B10
SCHEMBL12307566 0.82 GRM5 (0.35) GCKHIF1ASMN1; SMN2
SCHEMBL12307539 0.82 MEN1 (0.42) KDM4ESMN1; SMN2HTTGAAALDH1A1
SCHEMBL12307506 0.82 RAB9A (0.44) HPGDKDM4ESMN1; SMN2HTTTSHR
SCHEMBL12307510 0.81 AOC3 (0.40) KDM4ELMNAGAAALDH1A1
SCHEMBL12307651 0.80 ALDH1A1 (0.34) ALDH1A1

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 F10 3839/4885HPGD 3240/4885KDM4E 1658/4885

“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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