SCHEMBL986038

SCHEMBL986038

COCCOc1cc(OC)ccc1-c1ncnc2c(C(=O)N[C@H]3CC[C@@H](NC(=O)C4(O)CC4)CC3)c[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.38
BTK Q06187 8/20 0.38
CD38 P28907 7/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGDS O60760 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 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
SCHEMBL985328 1.00 HTR4 (0.38) HTR4BTKCD38KDM4EHPGDS
SCHEMBL983642 0.92 HTR4 (0.38) HTR4BTKKDM4EHPGDSGRIN1
SCHEMBL981596 0.92 HTR4 (0.38) HTR4BTKKDM4EHPGDSGRIN1
SCHEMBL981844 0.90 HTR4 (0.41) HTR4BTKCD38KDM4EHPGDS
SCHEMBL985809 0.90 HTR4 (0.41) HTR4BTKCD38KDM4EHPGDS
SCHEMBL986466 0.90 HTR4 (0.36) HTR4BTKCD38HPGDS
SCHEMBL981989 0.89 BTK (0.47) HTR4BTKCD38KDM4E
SCHEMBL982770 0.89 BTK (0.47) HTR4BTKCD38KDM4E
SCHEMBL982971 0.88 HTR4 (0.40) HTR4BTKCD38KDM4EHPGDS
SCHEMBL984117 0.88 KDM4E (0.43) HTR4BTKCD38KDM4EGRIN1

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 1818/4885BTK 1977/4885CD38 509/4885

“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.