SCHEMBL986109

SCHEMBL986109

COc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)N[C@H]4CC[C@H](NC(C)=O)CC4)c[nH]c23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA2 P47869 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
AURKA O14965 1/20 0.37
MET P08581 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
BTK Q06187 7/20 0.36
PTK2 Q05397 1/20 0.36
HPGDS O60760 1/20 0.36
CRHR1 P34998 1/20 0.36
CRHR2 Q13324 1/20 0.36
KMT2A Q03164 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
SCHEMBL982719 1.00 HTR4 (0.40) HTR4CYP4F2CYP4A11GABRG2GABRB3
SCHEMBL984107 0.94 HTR4 (0.40) HTR4CYP4F2CYP4A11PDE4APDE4B
SCHEMBL982867 0.94 HTR4 (0.40) HTR4CYP4F2CYP4A11PDE4APDE4B
SCHEMBL986107 0.93 BTK (0.43) HTR4GABRG2GABRB3GABRA2PDE4A
SCHEMBL985165 0.93 BTK (0.43) HTR4GABRG2GABRB3GABRA2PDE4A
SCHEMBL984998 0.92 HTR4 (0.39) HTR4GABRG2GABRB3GABRA2PDE4A
SCHEMBL984273 0.92 HTR4 (0.39) HTR4GABRG2GABRB3GABRA2PDE4A
SCHEMBL983804 0.92 HTR4 (0.39) HTR4GABRG2GABRB3GABRA2PDE4A
SCHEMBL981816 0.92 HTR4 (0.50) HTR4GABRG2GABRB3GABRA2PDE4A
SCHEMBL984721 0.91 KDM4E (0.40) HTR4GABRG2GABRB3GABRA2PDE4A

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 1818/4885CYP4F2 334/4885CYP4A11 416/4885

“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.