SCHEMBL12307398

SCHEMBL12307398

CNC(=O)Nc1cc2n(n1)CCN2c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 3/20 0.40
▸ NTRK1 P04629 5/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ TSHR P16473 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KCNJ6 P48051 1/20 0.34
▸ KCNJ5 P48544 1/20 0.34
▸ KCNJ3 P48549 1/20 0.34

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
SCHEMBL12307522 0.89 ALDH1A1 (0.38) GCKSMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL12307489 0.89 KMT2A (0.39) SMN1; SMN2ALDH1A1MAPTHTTHSD17B10
SCHEMBL12307566 0.89 GRM5 (0.35) GCKNTRK1SMN1; SMN2MAPK13MAPK12
SCHEMBL12307511 0.88 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1RECQLTSHRMAPT
SCHEMBL12334409 0.88 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1TSHRMAPTHSD17B10
SCHEMBL12307530 0.88 MEN1 (0.34) GCKSMN1; SMN2ALDH1A1RECQLMAPT
SCHEMBL12307527 0.88 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL12307557 0.87 TSHR (0.45) SMN1; SMN2TSHRMAPTHTTNPC1
SCHEMBL12307501 0.87 HDAC1 (0.41) GCKSMN1; SMN2TSHRMAPTNPC1
SCHEMBL12307596 0.87 MAPK13 (0.38) GCKSMN1; SMN2MAPTNPC1MEN1

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 GCK 1876/4885NTRK1 3929/4885SMN1; 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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