SCHEMBL12307596

SCHEMBL12307596

CNC(=O)Nc1cc2n(n1)CCN2c1ccc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ RAB9A P51151 5/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GCK P35557 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RIPK2 O43353 1/20 0.35
▸ PHGDH O43175 1/20 0.35
▸ SLC6A2 P23975 4/20 0.35
▸ SLC6A4 P31645 4/20 0.35
▸ SLC6A3 Q01959 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 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
SCHEMBL12307610 0.87 PRMT3 (0.40) PHGDH
SCHEMBL12307398 0.87 GCK (0.40) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL12307597 0.86 PLK1 (0.43) RAB9ANPC1MEN1POLBMAPT
SCHEMBL12307489 0.84 KMT2A (0.39) RAB9ASMN1; SMN2NPC1MEN1MAPT
SCHEMBL12307484 0.83 KMT2A (0.40) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL12334409 0.83 SMN1; SMN2 (0.37) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL12307530 0.83 MEN1 (0.34) SMN1; SMN2CYP1A2GCKMEN1MAPT
SCHEMBL12307539 0.83 MEN1 (0.42) RAB9ASMN1; SMN2CYP2C9NPC1MEN1
SCHEMBL12307527 0.82 ALDH1A1 (0.42) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL12307522 0.81 ALDH1A1 (0.38) RAB9ASMN1; SMN2GCKNPC1MEN1

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 MAPK13 89/4885MAPK12 119/4885MAPK11 201/4885

“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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