SCHEMBL12307979

SCHEMBL12307979

CN1CCc2cc(N3CCn4nc(NC(=O)[C@H]5CCC(=O)N5)cc43)ccc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 3/20 0.36
▸ NAMPT P43490 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ CTSC P53634 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ CDK9 P50750 2/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK4 P11802 1/20 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
SCHEMBL12307980 1.00 SLC5A1 (0.36) SLC5A1NAMPTABL1DDB1CRBN
SCHEMBL12307789 0.87 ALDH1A1 (0.41) ABL1CTSKCTSCKMT2AGRM5
SCHEMBL12307809 0.85 GSK3B (0.37) CTSKCTSCCDK9CCNT1CDK4
SCHEMBL12307713 0.83 GRM5 (0.38) ABL1MEN1KMT2APOLBGRM5
SCHEMBL12307833 0.83 ALDH1A1 (0.41) MEN1KMT2ASMN1; SMN2
SCHEMBL12307919 0.82 S1PR2 (0.36) MEN1KMT2APOLBGRM5CDK9
SCHEMBL12307774 0.82 GRM5 (0.37) MEN1KMT2ASMN1; SMN2JAK2GRM5
SCHEMBL12308024 0.81 GRM5 (0.36) MEN1KMT2AJAK2GRM5CDK9
SCHEMBL12307829 0.81 KCNH2 (0.37) SMN1; SMN2GRM5CYP11B1CYP11B2
SCHEMBL12307799 0.80 NPC1 (0.42) ABL1

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 SLC5A1 647/4885NAMPT 2241/4885ABL1 327/4885

“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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