SCHEMBL984910

SCHEMBL984910

COCCOc1cc(OC)ccc1-c1ncnc2c(C(=O)NC3CCN(C(C)=O)CC3)c[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.45
HTR4 Q13639 2/20 0.39
TSHR P16473 1/20 0.38
CD38 P28907 5/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PDK1 Q15118 1/20 0.37
LRRK2 Q5S007 1/20 0.36
THRB P10828 1/20 0.36
MDM4 O15151 1/20 0.36
JAK3 P52333 1/20 0.36
BTK Q06187 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
SCHEMBL981633 0.92 BTK (0.40) HPGDSHTR4TSHRCD38MDM4
SCHEMBL982565 0.92 HPGDS (0.39) HPGDSHTR4TSHRCD38JAK3
SCHEMBL984587 0.92 HPGDS (0.44) HPGDSHTR4TSHRCD38HSP90AA1
SCHEMBL985809 0.91 HTR4 (0.41) HPGDSHTR4CD38BTK
SCHEMBL981844 0.91 HTR4 (0.41) HPGDSHTR4CD38BTK
SCHEMBL981665 0.90 ALDH1A1 (0.42) THRBBTK
SCHEMBL986466 0.90 HTR4 (0.36) HPGDSHTR4TSHRCD38MDM4
SCHEMBL981879 0.89 HTR4 (0.51) HPGDSHTR4CD38BTK
SCHEMBL981989 0.88 BTK (0.47) HTR4CD38BTK
SCHEMBL982770 0.88 BTK (0.47) HTR4CD38BTK

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 HPGDS 651/4885HTR4 1818/4885TSHR 3033/4885

“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.