SCHEMBL2528847

SCHEMBL2528847

COc1cccc2[nH]c(Cc3nc4ccc(C(=O)N[C@@H](CP(=O)(O)O)C(=O)O)cc4n3C)nc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.39
MAOB P27338 1/20 0.38
ADORA2A P29274 1/20 0.38
PPARG P37231 3/20 0.36
TSHR P16473 1/20 0.36
MAPK10 P53779 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.34
CACNA1H O95180 1/20 0.34
LMNA P02545 1/20 0.34
PAX8 Q06710 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
ACSS2 Q9NR19 1/20 0.34
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 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
SCHEMBL2528844 1.00 PIN1 (0.39) PIN1MAOBADORA2APPARGTSHR
SCHEMBL2526173 0.90 PIN1 (0.41) PIN1PPARGACSS2
SCHEMBL2526178 0.90 PIN1 (0.41) PIN1PPARGACSS2
SCHEMBL7481691 0.81 PIN1 (0.41) PIN1TPSAB1TPSD1TPSG1ACSS2
Hydrochloric Acid SCHEMBL7477525 0.81 PIN1 (0.40) PIN1TPSAB1TPSD1TPSG1ACSS2
SCHEMBL7478923 0.80 TPSAB1 (0.39) PIN1TPSAB1TPSD1TPSG1ACSS2
SCHEMBL2524938 0.73 TPSAB1 (0.51) PIN1TPSAB1TPSD1TPSG1ACSS2
SCHEMBL2524929 0.73 TPSAB1 (0.51) PIN1TPSAB1TPSD1TPSG1ACSS2
SCHEMBL7489855 0.71 PIN1 (0.46) PIN1L3MBTL1MAPTLMNAACSS2
Hydrochloric Acid SCHEMBL7478353 0.71 PIN1 (0.45) PIN1L3MBTL1MAPTLMNAACSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-25 US claimed
US-8039500-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-18 US disclosed
US-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-25 US disclosed
EP-2125753-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP disclosed
EP-2052253-A2 IMMUNOGENIC COMPOUNDS AND PROTEIN MIMICS PEPSCAN SYSTEMS B.V. (NL) 2009-04-29 EP disclosed
WO-2008082003-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 WO disclosed
WO-2008013454-A2 IMMUNOGENIC COMPOUNDS AND PROTEIN MIMICS PEPSCAN SYSTEMS B.V. (NL) 2008-01-31 WO 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-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS CRHR1, CRHR2, CRH PIN1 2255/4885MAOB 253/4885ADORA2A 409/4885

“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.