SCHEMBL16701686

SCHEMBL16701686

C=CS(=O)(=O)N(CCn1nc(-c2ccc3[nH]ncc3c2)c2c(N)ncnc21)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.52
PIK3CD O00329 10/20 0.50
PRKDC P78527 10/20 0.50
PIK3CG P48736 9/20 0.50
PIK3CA P42336 8/20 0.50
PIK3CB P42338 8/20 0.50
EGFR P00533 4/20 0.50
ABL1 P00519 3/20 0.50
HCK P08631 3/20 0.50
SRC P12931 3/20 0.50
KDR P35968 3/20 0.50
MTOR P42345 3/20 0.50
EPHB4 P54760 3/20 0.50
LCK P06239 1/20 0.45
JAK3 P52333 1/20 0.45
BTK Q06187 1/20 0.45
ITK Q08881 1/20 0.45
FYN P06241 1/20 0.44

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
SCHEMBL16701606 0.86 PIK3CG (0.54) PIK3CDPRKDCPIK3CGPIK3CAPIK3CB
SCHEMBL16701828 0.85 PIK3CD (0.54) TGFBR1PIK3CDPRKDCPIK3CGPIK3CA
SCHEMBL16702430 0.85 TGFBR1 (0.57) TGFBR1PIK3CDPRKDCPIK3CGPIK3CA
SCHEMBL16701882 0.84 BTK (0.46) TGFBR1PIK3CDPRKDCPIK3CGPIK3CA
SCHEMBL16701652 0.84 EGFR (0.51) PIK3CDPRKDCPIK3CGPIK3CAPIK3CB
SCHEMBL16701616 0.83 EGFR (0.50) PIK3CDPRKDCPIK3CGPIK3CAPIK3CB
SCHEMBL16701589 0.83 BTK (0.55) PIK3CDPRKDCPIK3CGPIK3CAPIK3CB
SCHEMBL16701590 0.82 PIK3CD (0.56) PIK3CDPRKDCPIK3CGPIK3CAPIK3CB
SCHEMBL16701704 0.82 PIK3CD (0.53) PIK3CDPRKDCPIK3CGPIK3CAPIK3CB
SCHEMBL16702386 0.82 PIK3CD (0.52) PIK3CDPRKDCPIK3CGPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160272645-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-22 US claimed
WO-2015069441-A1 PYRAZOLO-, IMIDAZOLO- AND PYRROLO-PYRIDINE OR -PYRIMIDINE DERIVATIVES AS INHIBITORS O BRUTONS KINASE (BTK) MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-14 WO claimed
US-20160272645-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-22 US disclosed
US-20160272645-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-22 US disclosed
WO-2015069441-A1 PYRAZOLO-, IMIDAZOLO- AND PYRROLO-PYRIDINE OR -PYRIMIDINE DERIVATIVES AS INHIBITORS O BRUTONS KINASE (BTK) MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-14 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-20160272645-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB TGFBR1 3390/4885PIK3CD 2/4885PRKDC 34/4885

“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.