SCHEMBL12898265

SCHEMBL12898265

N#Cc1ccc(NC(=O)Nc2ncccc2N2CCCC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 5/20 0.44
▸ MAPT P10636 5/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGDS O60760 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NLRP3 Q96P20 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SAE1 Q9UBE0 1/20 0.41
▸ UBA2 Q9UBT2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ IL18 Q14116 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41

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
SCHEMBL12898282 0.87 NPC1 (0.53) MAPTMEN1KMT2AHPGDSTSHR
SCHEMBL12898269 0.83 TRPV1 (0.44) MAPTMEN1KMT2AHPGDSHTT
SCHEMBL12898255 0.83 PPIA (0.51) FPR2MEN1KMT2ARAB9ANPC1
SCHEMBL12898251 0.82 PPIF (0.52) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL12898271 0.81 TSHR (0.49) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL12898256 0.79 SHMT2 (0.52) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL12898258 0.78 SMN1; SMN2 (0.67) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL12898249 0.78 MAPT (0.47) MAPTMEN1KMT2AALDH1A1HPGDS
SCHEMBL1269344 0.78 SHMT2 (0.53) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL12898263 0.78 MAPK1 (0.42) MAPTMEN1KMT2AALDH1A1HPGDS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 — — US disclosed
US-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 — — 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP FPR2 4810/4885MAPT 228/4885MEN1 1917/4885

“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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