SCHEMBL983576

SCHEMBL983576

COCCOc1cc(OC)ccc1-c1ncnc2c(C(=O)N[C@H]3CC[C@@H](NC(=O)C4CC4)CC3)c[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.40
HPGDS O60760 2/20 0.39
BTK Q06187 1/20 0.38
CD38 P28907 8/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
KDM4E B2RXH2 1/20 0.36
AURKA O14965 1/20 0.36
MET P08581 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
AURKB Q96GD4 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL982971 1.00 HTR4 (0.40) HTR4HPGDSBTKCD38MTNR1A
SCHEMBL985809 0.92 HTR4 (0.41) HTR4HPGDSBTKCD38KDM4E
SCHEMBL981844 0.92 HTR4 (0.41) HTR4HPGDSBTKCD38KDM4E
SCHEMBL984925 0.91 HTR4 (0.39) HTR4HPGDSBTKMTNR1AMTNR1B
SCHEMBL983065 0.91 HTR4 (0.39) HTR4HPGDSBTKMTNR1AMTNR1B
SCHEMBL984605 0.91 HTR4 (0.39) HTR4HPGDSBTKMTNR1AMTNR1B
SCHEMBL982770 0.91 BTK (0.47) HTR4BTKCD38KDM4E
SCHEMBL981989 0.91 BTK (0.47) HTR4BTKCD38KDM4E
SCHEMBL981845 0.91 KDM4E (0.43) HTR4BTKCD38KDM4EGRIN1
SCHEMBL984117 0.91 KDM4E (0.43) HTR4BTKCD38KDM4EGRIN1

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 1818/4885HPGDS 651/4885BTK 1977/4885

“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.