SCHEMBL16701762

SCHEMBL16701762

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.54
PIK3CD O00329 9/20 0.47
PRKDC P78527 9/20 0.47
PIK3CA P42336 7/20 0.47
PIK3CB P42338 7/20 0.47
PIK3CG P48736 7/20 0.47
MTOR P42345 6/20 0.47
EGFR P00533 3/20 0.47
ABL1 P00519 2/20 0.47
HCK P08631 2/20 0.47
SRC P12931 2/20 0.47
KDR P35968 2/20 0.47
EPHB4 P54760 2/20 0.47
BTK Q06187 2/20 0.44
LCK P06239 1/20 0.43
JAK3 P52333 1/20 0.43
ITK Q08881 1/20 0.43
HDAC1 Q13547 4/20 0.42
FYN P06241 1/20 0.42
HDAC3 O15379 1/20 0.41

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
SCHEMBL16702430 0.87 TGFBR1 (0.57) TGFBR1PIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL16701516 0.86 PIK3CG (0.51) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL16701691 0.86 PIK3CD (0.53) TGFBR1PIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL16701539 0.86 PIK3CA (0.49) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL16702030 0.85 PIK3CD (0.55) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL16702259 0.85 PIK3CA (0.49) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL16701789 0.85 BTK (0.45) TGFBR1PIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL16701572 0.85 BTK (0.51) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL16702205 0.84 PIK3CA (0.51) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL16701657 0.84 PIK3CD (0.60) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG

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 4 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
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.