SCHEMBL985165

SCHEMBL985165

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.43
HTR4 Q13639 2/20 0.40
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA2 P47869 3/20 0.39
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 0.36
MET P08581 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
SMYD3 Q9H7B4 2/20 0.36
KDM1A O60341 1/20 0.36
PTK2 Q05397 1/20 0.36
PAK1 Q13153 1/20 0.36
CRHR1 P34998 1/20 0.35
CRHR2 Q13324 1/20 0.35
HPGDS O60760 1/20 0.35

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
SCHEMBL986107 1.00 BTK (0.43) BTKHTR4GABRG2GABRB3GABRA2
SCHEMBL981973 0.94 BTK (0.43) BTKHTR4GABRG2GABRB3GABRA2
SCHEMBL984589 0.94 BTK (0.43) BTKHTR4GABRG2GABRB3GABRA2
SCHEMBL982719 0.93 HTR4 (0.40) BTKHTR4GABRG2GABRB3GABRA2
SCHEMBL986109 0.93 HTR4 (0.40) BTKHTR4GABRG2GABRB3GABRA2
SCHEMBL984998 0.91 HTR4 (0.39) BTKHTR4GABRG2GABRB3GABRA2
SCHEMBL983804 0.91 HTR4 (0.39) BTKHTR4GABRG2GABRB3GABRA2
SCHEMBL984273 0.91 HTR4 (0.39) BTKHTR4GABRG2GABRB3GABRA2
SCHEMBL981816 0.91 HTR4 (0.50) HTR4GABRG2GABRB3GABRA2PDE4A
SCHEMBL984721 0.91 KDM4E (0.40) BTKHTR4GABRG2GABRB3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BTK 1977/4885HTR4 1818/4885GABRG2 3924/4885

“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.