SCHEMBL12334143

SCHEMBL12334143

BN1CCn2nc(NC(=O)NC)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ GCK P35557 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR1B P28222 1/20 0.31
▸ HTR1F P30939 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ RECQL P46063 1/20 0.31
▸ GRM5 P41594 2/20 0.31
▸ MAP4K1 Q92918 1/20 0.31
▸ LMNA P02545 1/20 0.30

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
SCHEMBL12307508 0.79 ALDH1A1 (0.38) ROCK2ROCK1GCKALDH1A1GRM5
SCHEMBL12307413 0.79 RIPK1 (0.38) SMN1; SMN2ROCK2ROCK1GCKALDH1A1
SCHEMBL12307410 0.79 PDCD1 (0.38) SMN1; SMN2GCKHTR1DHTR1BHTR1F
SCHEMBL12334700 0.78 SMN1; SMN2 (0.39) SMN1; SMN2GCKHTR1DHTR1BHTR1F
SCHEMBL12307492 0.77 HDAC6 (0.44) HDAC6ALDH1A1LMNA
SCHEMBL12307409 0.77 GRM5 (0.60) HDAC6GRM5
SCHEMBL12307490 0.77 GRM5 (0.56) ROCK2ROCK1HDAC6GRM5
SCHEMBL12307414 0.76 KDM4E (0.45) SMN1; SMN2ALDH1A1GRM5
SCHEMBL12307503 0.76 HTR1A (0.42) SMN1; SMN2ALDH1A1LMNA
SCHEMBL12532922 0.75 GRM5 (0.44) HDAC6GRM5

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 SMN1; SMN2 3905/4885ROCK2 490/4885ROCK1 461/4885

“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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