SCHEMBL12307502

SCHEMBL12307502

CNC(=O)Nc1cc2n(n1)CCN(c1cccc(C(=O)OC)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ HPGD P15428 3/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ PHGDH O43175 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HTR7 P34969 1/20 0.38

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
SCHEMBL12307485 0.88 KMT2A (0.46) MAPTCYP1A2ALDH1A1NPC1CYP2C19
SCHEMBL12307503 0.86 HTR1A (0.42) MAPTALDH1A1KDM4ELMNAHTR7
SCHEMBL22279291 0.82 NPC1 (0.42) TP53MAPTNPC1KMT2AMEN1
SCHEMBL12307507 0.80 PIK3CG (0.41) ALDH1A1PHGDHROCK2ROCK1
SCHEMBL12307488 0.78 PIK3CG (0.45) —
SCHEMBL12307508 0.76 ALDH1A1 (0.38) TP53MAPTALDH1A1NPC1KDM4E
SCHEMBL12307409 0.74 GRM5 (0.60) —
SCHEMBL12307496 0.73 GRM5 (0.47) —
SCHEMBL12334143 0.72 SMN1; SMN2 (0.38) ALDH1A1LMNAROCK2ROCK1SMN1; SMN2
SCHEMBL12307504 0.72 ALOX5 (0.43) TP53MAPTALDH1A1NPC1MAPK1

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 TP53 342/4885MAPT 4347/4885HPGD 3240/4885

“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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