SCHEMBL3199075

SCHEMBL3199075

Nc1nc(O)cc(C2CCc3ccccc3C2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PRKDC P78527 1/20 0.39
ANPEP P15144 1/20 0.39
TRPV3 Q8NET8 1/20 0.38
HRH4 Q9H3N8 2/20 0.35
ADORA2A P29274 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL3467895 0.77 PIK3CD (0.43) PLAUPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5750966 0.76 HRH4 (0.50) HRH4
SCHEMBL604933 0.76 HRH4 (0.65) HRH4
SCHEMBL2087271 0.74 GRIN2D (0.46) PLAUPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL603532 0.74 HRH4 (0.65) HRH4
SCHEMBL14433451 0.74 RAB9A (0.43) PLAUPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3719255 0.73 HRH4 (0.56) HRH4
SCHEMBL5750310 0.73 HRH4 (0.61) HRH4
SCHEMBL24309619 0.72 HRH4 (0.59) HRH4
SCHEMBL6664970 0.71 PLAU (0.46) PLAUPIK3CDPIK3CAPIK3CBPIK3CG

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 US claimed
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 EP claimed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 WO claimed
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 US disclosed
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 EP disclosed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 WO 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-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 PLAU 3141/4885PIK3CD 1102/4885PIK3CA 1082/4885

“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.