SCHEMBL985809

SCHEMBL985809

COCCOc1cc(OC)ccc1-c1ncnc2c(C(=O)N[C@H]3CC[C@@H](NC(C)=O)CC3)c[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.41
CD38 P28907 8/20 0.40
BTK Q06187 7/20 0.39
KDM4E B2RXH2 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
HPGDS O60760 1/20 0.36

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
SCHEMBL981844 1.00 HTR4 (0.41) HTR4CD38BTKKDM4EGRIN1
SCHEMBL981989 0.93 BTK (0.47) HTR4CD38BTKKDM4E
SCHEMBL982770 0.93 BTK (0.47) HTR4CD38BTKKDM4E
SCHEMBL981845 0.92 KDM4E (0.43) HTR4CD38BTKKDM4EGRIN1
SCHEMBL983576 0.92 HTR4 (0.40) HTR4CD38BTKKDM4EGRIN1
SCHEMBL984117 0.92 KDM4E (0.43) HTR4CD38BTKKDM4EGRIN1
SCHEMBL982971 0.92 HTR4 (0.40) HTR4CD38BTKKDM4EGRIN1
SCHEMBL984754 0.92 HTR4 (0.40) HTR4CD38BTKKDM4EGRIN1
SCHEMBL981879 0.92 HTR4 (0.51) HTR4CD38BTKKDM4EHPGDS
SCHEMBL982867 0.91 HTR4 (0.40) HTR4BTKKDM4EGRIN1GRIN2B

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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US claimed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A HTR4 1818/4885CD38 509/4885BTK 1977/4885

“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.