SCHEMBL12307461

SCHEMBL12307461

CNC(=O)Nc1cc2n(n1)CCN2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.44
▸ TP53 P04637 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ ENPP3 O14638 2/20 0.38
▸ ALPL P05186 2/20 0.38
▸ XIAP P98170 2/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ ELANE P08246 1/20 0.35
▸ ENPP1 P22413 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 0.89 GRM5 (0.37) GRM5TP53ALDH1A1SMN1; SMN2LMNA
SCHEMBL12307457 0.89 TP53 (0.36) GRM5TP53ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12307444 0.89 ALDH1A1 (0.41) GRM5ALDH1A1POLBELANE
SCHEMBL12307391 0.88 GRM5 (0.45) GRM5TP53ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12307447 0.87 ALDH1A1 (0.38) GRM5ALDH1A1ENPP3ALPLXIAP
SCHEMBL12307473 0.86 PLAU (0.42) TP53ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL12307454 0.83 TP53 (0.40) GRM5TP53ALDH1A1POLBHPGD
SCHEMBL12307478 0.82 GRM5 (0.40) GRM5ALDH1A1RAB9AHPGDHSD17B10
SCHEMBL12307442 0.82 GRM5 (0.39) GRM5ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL12307462 0.82 GRM5 (0.38) GRM5

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 1849/4885TP53 342/4885ALDH1A1 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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