SCHEMBL981989

SCHEMBL981989

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

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.47
HTR4 Q13639 2/20 0.40
CD38 P28907 6/20 0.38
SMYD3 Q9H7B4 2/20 0.37
KDM4E B2RXH2 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
SCHEMBL982770 1.00 BTK (0.47) BTKHTR4CD38SMYD3KDM4E
SCHEMBL985809 0.93 HTR4 (0.41) BTKHTR4CD38KDM4E
SCHEMBL981844 0.93 HTR4 (0.41) BTKHTR4CD38KDM4E
SCHEMBL981973 0.91 BTK (0.43) BTKHTR4SMYD3KDM4E
SCHEMBL984589 0.91 BTK (0.43) BTKHTR4SMYD3KDM4E
SCHEMBL982971 0.91 HTR4 (0.40) BTKHTR4CD38KDM4E
SCHEMBL984117 0.91 KDM4E (0.43) BTKHTR4CD38SMYD3KDM4E
SCHEMBL983576 0.91 HTR4 (0.40) BTKHTR4CD38KDM4E
SCHEMBL984754 0.91 HTR4 (0.40) BTKHTR4CD38SMYD3KDM4E
SCHEMBL981845 0.91 KDM4E (0.43) BTKHTR4CD38SMYD3KDM4E

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 1818/4885CD38 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.