SCHEMBL981973

SCHEMBL981973

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.43
HTR4 Q13639 2/20 0.40
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
KDM4E B2RXH2 1/20 0.36
PAK1 Q13153 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
CRHR1 P34998 2/20 0.35
CRHR2 Q13324 2/20 0.35
HPGDS O60760 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA2 P47869 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
SCHEMBL984589 1.00 BTK (0.43) BTKHTR4AURKAMETKDR
SCHEMBL985165 0.94 BTK (0.43) BTKHTR4AURKAMETKDR
SCHEMBL986107 0.94 BTK (0.43) BTKHTR4AURKAMETKDR
SCHEMBL982867 0.93 HTR4 (0.40) BTKHTR4AURKAMETKDR
SCHEMBL984107 0.93 HTR4 (0.40) BTKHTR4AURKAMETKDR
SCHEMBL984605 0.91 HTR4 (0.39) BTKHTR4AURKAMETKDR
SCHEMBL983647 0.91 HTR4 (0.39) BTKHTR4AURKAMETKDR
SCHEMBL984925 0.91 HTR4 (0.39) BTKHTR4AURKAMETKDR
SCHEMBL983065 0.91 HTR4 (0.39) BTKHTR4AURKAMETKDR
SCHEMBL984219 0.91 HTR4 (0.39) BTKHTR4AURKAMETKDR

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 1818/4885AURKA 3322/4885

“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.