SCHEMBL12334181

SCHEMBL12334181

Cc1cccc(N2CCn3nc(NC(=O)Nc4ccccc4)cc32)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 5/20 0.51
▸ MAPK12 P53778 5/20 0.51
▸ MAPK11 Q15759 5/20 0.51
▸ MAPK14 Q16539 5/20 0.51
▸ KCNJ6 P48051 8/20 0.47
▸ KCNJ3 P48549 8/20 0.47
▸ KCNJ5 P48544 6/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GBA1 P04062 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ DDR2 Q16832 1/20 0.42

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
SCHEMBL12307557 0.90 TSHR (0.45) MAPK13MAPK12MAPK11MAPK14KCNJ6
SCHEMBL12307634 0.89 KMT2A (0.52) KCNJ6KCNJ3KCNJ5MAPTNPC1
SCHEMBL12334409 0.88 SMN1; SMN2 (0.37) MAPK13MAPK12MAPK11MAPK14KCNJ6
SCHEMBL12334420 0.83 ITGB3 (0.40) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL12307398 0.80 GCK (0.40) MAPK13MAPK12MAPK11MAPK14KCNJ6
SCHEMBL12334182 0.79 PARP1 (0.38) TSHRMAPTKMT2AALDH1A1
SCHEMBL12307828 0.78 GRM5 (0.41) MAPK13MAPK12MAPK11MAPK14KCNJ6
SCHEMBL12307565 0.78 MAPT (0.49) TSHRMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12307489 0.77 KMT2A (0.39) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL12307530 0.76 MEN1 (0.34) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1

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 1 patent. 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

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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