SCHEMBL12307391

SCHEMBL12307391

CNC(=O)Nc1cc2n(n1)CCN2C(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 9/20 0.45
▸ GCK P35557 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL12307471 0.92 GRM5 (0.37) GRM5GCKALDH1A1TP53SMN1; SMN2
SCHEMBL12307478 0.91 GRM5 (0.40) GRM5GCKALDH1A1HPGDKMT2A
SCHEMBL12307447 0.89 ALDH1A1 (0.38) GRM5ALDH1A1KMT2AMEN1RECQL
SCHEMBL12307457 0.89 TP53 (0.36) GRM5ALDH1A1HPGDMAPTKMT2A
SCHEMBL12335625 0.89 HPGD (0.42) GRM5HPGDTP53RAB9A
SCHEMBL12307462 0.89 GRM5 (0.38) GRM5GCK
SCHEMBL12307444 0.89 ALDH1A1 (0.41) GRM5ALDH1A1POLB
SCHEMBL12307461 0.88 GRM5 (0.44) GRM5ALDH1A1HPGDMAPTTP53
SCHEMBL12307387 0.88 GRM5 (0.46) GRM5ALDH1A1HPGDMAPTKMT2A
SCHEMBL12307445 0.88 STAT3 (0.45) ALDH1A1HPGDPOLB

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 3 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
EP-2327704-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY Shionogi&Co., Ltd. (JP) 2011-06-01 — — EP 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 1849/4885GCK 1876/4885ALDH1A1 3559/4885

“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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