SCHEMBL12172298

SCHEMBL12172298

O=c1[nH]/c(=C\c2ccnc3ccccc23)c(=O)[nH]/c1=C\c1ccnc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ACVR1 Q04771 7/20 0.45
▸ BMPR1B O00238 1/20 0.45
▸ RAF1 P04049 1/20 0.45
▸ BRAF P15056 1/20 0.45
▸ BMPR1A P36894 1/20 0.45
▸ ACVR1B P36896 1/20 0.45
▸ TGFBR1 P36897 1/20 0.45

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
SCHEMBL87454 0.81 CYP1A2 (0.40) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL79548 0.81 CYP1A2 (0.40) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL22409625 0.75 KMT2A (0.51) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL15756387 0.74 MAPT (0.50) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL333756 0.73 MAPT (0.56) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL29935774 0.73 MAPT (0.56) MAPTALDH1A1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL27593140 0.72 MAPT (0.54) MAPTALDH1A1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL27545773 0.72 MAPT (0.54) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL8186352 0.72 MEN1 (0.41) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL6291703 0.72 PARP1 (0.47) MAPTALDH1A1HPGDMEN1KMT2A

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
WO-2012125447-A2 PIPERAZINEDIONE COMPOUNDS TAIPEI MEDICAL UNIVERSITY (TW) 2012-09-20 — — WO disclosed
US-20120232088-A1 PIPERAZINEDIONE COMPOUNDS NATIONAL TAIWAN UNIVERSITY (TW) 2012-09-13 — — US disclosed
US-20120232088-A1 PIPERAZINEDIONE COMPOUNDS NATIONAL TAIWAN UNIVERSITY (TW) 2012-09-13 — — 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-20120232088-A1 PIPERAZINEDIONE COMPOUNDS ABL1, ERBB2, PAK5 MAPT 2483/4885ALDH1A1 1572/4885HPGD 3635/4885

“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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