SCHEMBL12307485

SCHEMBL12307485

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ DRD4 P21917 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ PHGDH O43175 1/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SCN9A Q15858 1/20 0.40

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
SCHEMBL12307503 0.88 HTR1A (0.42) CA12CA1CA2CA9MAPT
SCHEMBL12307502 0.88 TP53 (0.41) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL12307413 0.87 RIPK1 (0.38) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL12307488 0.86 PIK3CG (0.45) —
SCHEMBL12307494 0.82 GRM5 (0.58) CA12CA1CA2CA9ALDH1A1
SCHEMBL12307507 0.82 PIK3CG (0.41) ALDH1A1NAMPTPHGDH
SCHEMBL12307484 0.81 KMT2A (0.40) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL12307497 0.80 SIGMAR1 (0.50) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL12307508 0.78 ALDH1A1 (0.38) KMT2AMEN1GAAMAPTNPC1
SCHEMBL12307491 0.77 HDAC6 (0.64) KMT2AMEN1CA12CA1CA2

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 KMT2A 2170/4885MEN1 1723/4885CYP1A2 2403/4885

“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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