SCHEMBL3515019

SCHEMBL3515019

CC(Cn1ncc2cc(B3OC(C)(C)C(C)(C)O3)ccc21)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.39
HTR2A P28223 5/20 0.37
HTR2C P28335 5/20 0.37
LMNA P02545 1/20 0.35
CREBBP Q92793 1/20 0.33
HDAC3 O15379 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC1 Q13547 1/20 0.31
HTR1A P08908 2/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
HTR2B P41595 2/20 0.31
LPL P06858 2/20 0.31
LIPG Q9Y5X9 2/20 0.31
FFAR1 O14842 1/20 0.31
HTR1D P28221 1/20 0.31
HTR7 P34969 1/20 0.31
HTR4 Q13639 1/20 0.31
CHRM2 P08172 1/20 0.30

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
SCHEMBL17136842 0.83 IRAK4 (0.45) IRAK4HTR2AHTR2CHTR1AADRA2A
SCHEMBL145462 0.83 HDAC3 (0.44) IRAK4HDAC3HDAC2HDAC1MCHR1
SCHEMBL17678319 0.80 EGFR (0.41) IRAK4HDAC3HDAC2HDAC1MCHR1
SCHEMBL31394375 0.80 HTR2A (0.46) IRAK4HTR2AHTR2CHTR1AADRA2A
SCHEMBL27006028 0.77 IRAK4 (0.42) IRAK4HTR2AHTR2CHTR1AADRA2A
SCHEMBL2424027 0.77 IRAK4 (0.47) IRAK4HTR2AHTR2CLPLLIPG
SCHEMBL15328505 0.74 IRAK4 (0.43) IRAK4HTR2AHTR2CHDAC2HDAC1
SCHEMBL17674027 0.74 IRAK4 (0.48) IRAK4HTR2AHTR2CLMNAHDAC3
SCHEMBL15328953 0.74 IRAK4 (0.45) IRAK4HTR2AHTR2CLPLLIPG
SCHEMBL4037231 0.73 LMNA (0.36) LMNACREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A IRAK4 23/4885HTR2A 4726/4885HTR2C 4569/4885

“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.