SCHEMBL12307488

SCHEMBL12307488

CNC(=O)Nc1cc2n(n1)CCN(c1cncc(OC)c1)C2

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 4/20 0.45
▸ GCK P35557 11/20 0.41
▸ CHRNB2 P17787 2/20 0.40
▸ CHRNA4 P43681 2/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.37

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 0.86 KMT2A (0.46) —
SCHEMBL12307507 0.83 PIK3CG (0.41) PIK3CGGCK
SCHEMBL12307413 0.81 RIPK1 (0.38) PIK3CGGCK
SCHEMBL12307500 0.81 GCK (0.42) PIK3CGGCKCHRNB2CHRNA4
SCHEMBL12307502 0.78 TP53 (0.41) —
SCHEMBL12307503 0.78 HTR1A (0.42) —
SCHEMBL12307491 0.76 HDAC6 (0.64) HDAC6
SCHEMBL12307508 0.74 ALDH1A1 (0.38) GCK
SCHEMBL12307558 0.74 NPC1 (0.35) —
SCHEMBL12307494 0.73 GRM5 (0.58) HDAC6

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 PIK3CG 14/4885GCK 1876/4885CHRNB2 4794/4885

“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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