SCHEMBL14612916

SCHEMBL14612916

CC(=O)Oc1cccc(-c2nc3c(c(=O)[nH]2)SCC3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.43
▸ TNKS O95271 1/20 0.43
▸ WNT3A P56704 1/20 0.43
▸ TNKS2 Q9H2K2 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ BRD4 O60885 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAPDH P04406 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ PIN1 Q13526 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL14613050 0.86 BRD4 (0.53) PARP1TNKSWNT3ATNKS2PARP2
SCHEMBL1108597 0.80 RNASEL (0.51) PARP1TNKSWNT3ATNKS2PARP2
SCHEMBL7776875 0.77 TNKS (0.59) PARP1TNKSWNT3ATNKS2PARP2
SCHEMBL259607 0.74 RAB9A (0.55) ALDH1A1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL259275 0.74 TUBB4A (0.58) PARP1TNKSTNKS2ALDH1A1LMNA
SCHEMBL259479 0.74 ALDH1A1 (0.64) PARP1TNKSTNKS2ALDH1A1LMNA
SCHEMBL12112031 0.72 ALDH1A1 (0.43) ALDH1A1LMNAMAPTKDM4EGAPDH
SCHEMBL259502 0.72 ALDH1A1 (0.50) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL259498 0.72 AURKA (0.46) PARP1ALDH1A1LMNAMAPTKDM4E
SCHEMBL259621 0.71 AURKA (0.51) ALDH1A1LMNAMAPTNPC1RAB9A

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-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 — — 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-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A PARP1 1165/4885TNKS 578/4885WNT3A 2087/4885

“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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