SCHEMBL19203790

SCHEMBL19203790

CC(C)(C)Cc1cncc2sccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.42
SELE P16581 1/20 0.42
VCAM1 P19320 1/20 0.42
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
PPARG P37231 1/20 0.34
HTT P42858 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
PDE10A Q9Y233 1/20 0.34
LMNA P02545 1/20 0.33
CYP19A1 P11511 1/20 0.33
TBXAS1 P24557 1/20 0.33
ADRA2A P08913 1/20 0.30
ADRA2B P18089 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
SCHEMBL17080853 0.80 ICAM1 (0.45) ICAM1SELEVCAM1KDM4EALDH1A1
SCHEMBL4402797 0.75 CYP19A1 (0.43) CYP19A1TBXAS1
SCHEMBL19225723 0.75 CYP2A6 (0.34) KDM4EALDH1A1HPGDHTTNCOA1
SCHEMBL13765829 0.73 ICAM1 (0.45) ICAM1SELEVCAM1KDM4EALDH1A1
SCHEMBL21803740 0.71 CYP11B1 (0.41) ICAM1SELEVCAM1ALDH1A1MAPT
SCHEMBL14438021 0.70 ICAM1 (0.53) ICAM1SELEVCAM1KDM4EALDH1A1
SCHEMBL11954970 0.68 CYP11B1 (0.48) PDE10AADRA2AADRA2B
SCHEMBL7057856 0.66 ICAM1 (0.45) ICAM1SELEVCAM1KDM4EALDH1A1
SCHEMBL5377179 0.66 ICAM1 (0.45) ICAM1SELEVCAM1KDM4EALDH1A1
SCHEMBL8448 0.66 ICAM1 (0.45) ICAM1SELEVCAM1KDM4EALDH1A1

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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ICAM1 4768/4885SELE 4650/4885VCAM1 3940/4885

“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.