SCHEMBL16263259

SCHEMBL16263259

CNc1ccc(-c2nn(C(C)(C)C)c(N)c2C#N)cc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 11/20 0.38
SRC P12931 4/20 0.37
KDR P35968 2/20 0.34
LCK P06239 1/20 0.34
TGFBR1 P36897 1/20 0.34
KCNH2 Q12809 1/20 0.33
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PRKDC P78527 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RET P07949 1/20 0.32
MAP4K4 O95819 1/20 0.32
ROS1 P08922 1/20 0.32
FLT3 P36888 1/20 0.32
MAPK8 P45983 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL24133460 0.79 RIPK2 (0.39) RIPK2SRCKDRLCKKCNH2
SCHEMBL8308145 0.78 HPGD (0.49) RIPK2SRCKDRLCKABL1
SCHEMBL8310297 0.78 SRC (0.61) RIPK2SRCKDRKCNH2PIK3CD
SCHEMBL3691443 0.77 KDM4E (0.50) KDRHPGDSMN1; SMN2
SCHEMBL15613500 0.77 ADORA1 (0.47) RIPK2SRCKDRLCKABL1
SCHEMBL8357891 0.76 HPGD (0.51) RIPK2SRCABL1HPGDSMN1; SMN2
SCHEMBL8310247 0.74 KIF11 (0.41) RIPK2SRCKDRLCKABL1
SCHEMBL16263384 0.72 LMNA (0.38) RIPK2SRCKDRLCKTGFBR1
SCHEMBL8309258 0.72 ADORA1 (0.48) RIPK2PIK3CDPIK3CGHPGDSMN1; SMN2
SCHEMBL8308115 0.72 ADORA2A (0.48) RIPK2SRCABL1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9956214-B2 5-aminopyrazole-4-carboxamide inhibitors of CDPK1 from T. gondii and C. parvum UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2018-05-01 US disclosed
US-9956214-B2 5-aminopyrazole-4-carboxamide inhibitors of CDPK1 from T. gondii and C. parvum UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2018-05-01 US disclosed
EP-2999696-B1 5-AMINOPYRAZOLE-4-CARBOXAMIDE INHIBITORS OF CDPK1 FROM T. GONDII AND C. PARVUM UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2017-08-16 EP disclosed
US-20170056389-A1 5-AMINOPYRAZOLE-4-CARBOXAMIDE INHIBITORS OF CDPK1 FROM T. GONDII AND C. PARVUM UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2017-03-02 US disclosed
US-20170056389-A1 5-AMINOPYRAZOLE-4-CARBOXAMIDE INHIBITORS OF CDPK1 FROM T. GONDII AND C. PARVUM UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2017-03-02 US disclosed
US-9518026-B2 5-aminopyrazole-4-carboxamide inhibitors of CDPK1 from T. gondii and C. parvum UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2016-12-13 US disclosed
US-9518026-B2 5-aminopyrazole-4-carboxamide inhibitors of CDPK1 from T. gondii and C. parvum UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2016-12-13 US disclosed
US-20160090362-A1 5-AMINOPYRAZOLE-4-CARBOXAMIDE INHIBITORS OF CDPK1 FROM T. GONDII AND C. PARVUM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-31 US disclosed
US-20160090362-A1 5-AMINOPYRAZOLE-4-CARBOXAMIDE INHIBITORS OF CDPK1 FROM T. GONDII AND C. PARVUM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-31 US disclosed
WO-2014189947-A1 5-AMINOPYRAZOLE-4-CARBOXAMIDE INHIBITORS OF CDPK1 FROM T. GONDII AND C. PARVUM UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2014-11-27 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 (2 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-20170056389-A1 5-AMINOPYRAZOLE-4-CARBOXAMIDE INHIBITORS OF CDPK1 FROM T. GONDII AND C. PARVUM PCK1, DCK, CILK1 RIPK2 417/4885SRC 1759/4885KDR 4796/4885
US-20160090362-A1 5-AMINOPYRAZOLE-4-CARBOXAMIDE INHIBITORS OF CDPK1 FROM T. GONDII AND C. PARVUM PCK1, DCK, CILK1 RIPK2 417/4885SRC 1759/4885KDR 4796/4885

“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.