SCHEMBL12307558

SCHEMBL12307558

CNC(=O)Nc1cc2n(n1)CCN(c1cc(OC)nc(OC)n1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ F10 P00742 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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 0.75 KMT2A (0.46) NPC1LMNACYP1A2ALDH1A1CYP3A4
SCHEMBL12307488 0.74 PIK3CG (0.45) —
SCHEMBL12307413 0.74 RIPK1 (0.38) NPC1SMN1; SMN2CYP1A2ALDH1A1CYP3A4
SCHEMBL12307508 0.74 ALDH1A1 (0.38) NPC1RAB9ATP53LMNAALDH1A1
SCHEMBL12334143 0.72 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1
SCHEMBL12307531 0.72 PIK3CG (0.57) NPC1RAB9ASMN1; SMN2LMNACYP1A2
SCHEMBL12307502 0.71 TP53 (0.41) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL12307503 0.71 HTR1A (0.42) SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL12307498 0.70 HDAC6 (0.48) —
SCHEMBL12307507 0.69 PIK3CG (0.41) ALDH1A1

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 NPC1 1669/4885RAB9A 929/4885SMN1; SMN2 3905/4885

“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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