SCHEMBL986466

SCHEMBL986466

COCCOc1cc(OC)ccc1-c1ncnc2c(C(=O)NC3CCN(C(=O)C4(O)CC4)CC3)c[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.36
TSHR P16473 1/20 0.36
CD38 P28907 5/20 0.36
HPGDS O60760 1/20 0.36
MDM4 O15151 1/20 0.35
JAK3 P52333 2/20 0.35
FASN P49327 1/20 0.35
BTK Q06187 3/20 0.35
JAK1 P23458 1/20 0.33

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
SCHEMBL981476 0.92 MDM4 (0.36) HTR4TSHRHPGDSMDM4JAK3
SCHEMBL984910 0.90 HPGDS (0.45) HTR4TSHRCD38HPGDSMDM4
SCHEMBL986038 0.90 HTR4 (0.38) HTR4CD38HPGDSBTK
SCHEMBL985328 0.90 HTR4 (0.38) HTR4CD38HPGDSBTK
SCHEMBL981633 0.89 BTK (0.40) HTR4TSHRCD38HPGDSMDM4
SCHEMBL982565 0.89 HPGDS (0.39) HTR4TSHRCD38HPGDSJAK3
SCHEMBL981665 0.87 ALDH1A1 (0.42) BTK
SCHEMBL985286 0.86 KMT2A (0.37) HTR4TSHRHPGDSMDM4JAK3
SCHEMBL981844 0.86 HTR4 (0.41) HTR4CD38HPGDSBTK
SCHEMBL985809 0.86 HTR4 (0.41) HTR4CD38HPGDSBTK

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 1818/4885TSHR 3033/4885CD38 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.