SCHEMBL12307458

SCHEMBL12307458

CNC(=O)Nc1cc2n(n1)CCN2C(=O)c1cccc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 8/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ ADORA2A P29274 3/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ HTR1F P30939 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ VNN1 O95497 1/20 0.36

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 0.85 ALDH1A1 (0.41) GRM5ELANE
SCHEMBL12307462 0.85 GRM5 (0.38) GRM5
SCHEMBL12307478 0.85 GRM5 (0.40) GRM5NPC1RAB9A
SCHEMBL12335625 0.85 HPGD (0.42) GRM5NPC1RAB9AELANE
SCHEMBL12307391 0.85 GRM5 (0.45) GRM5SMN1; SMN2RAB9A
SCHEMBL12307455 0.84 MAPT (0.46) GRM5SMN1; SMN2NPC1RAB9AELANE
SCHEMBL12307445 0.80 STAT3 (0.45) CYP3A4
SCHEMBL12307476 0.80 STAT3 (0.35) GRM5SMN1; SMN2HTR1A
SCHEMBL12307471 0.79 GRM5 (0.37) GRM5SMN1; SMN2NAMPT
SCHEMBL12307447 0.79 ALDH1A1 (0.38) GRM5NPC1NAMPTCYP3A4

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 GRM5 1849/4885SMN1; SMN2 3905/4885NPC1 1669/4885

“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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