SCHEMBL983039

SCHEMBL983039

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

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.40
CD38 P28907 11/20 0.39
HTR4 Q13639 2/20 0.39
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 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
SCHEMBL985750 0.92 BTK (0.39) BTKCD38HTR4
SCHEMBL984517 0.92 BTK (0.39) BTKCD38HTR4
SCHEMBL985809 0.91 HTR4 (0.41) BTKCD38HTR4
SCHEMBL981844 0.91 HTR4 (0.41) BTKCD38HTR4
SCHEMBL982770 0.90 BTK (0.47) BTKCD38HTR4
SCHEMBL981989 0.90 BTK (0.47) BTKCD38HTR4
SCHEMBL982971 0.89 HTR4 (0.40) BTKCD38HTR4
SCHEMBL984117 0.89 KDM4E (0.43) BTKCD38HTR4
SCHEMBL981845 0.89 KDM4E (0.43) BTKCD38HTR4
SCHEMBL984754 0.89 HTR4 (0.40) BTKCD38HTR4

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 BTK 1977/4885CD38 509/4885HTR4 1818/4885

“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.