SCHEMBL16247149

SCHEMBL16247149

COc1ccc2cc(-c3n[nH]c(N)c3C(N)=O)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.58
GAA P10253 1/20 0.52
GFER P55789 1/20 0.52
CYP11B1 P15538 4/20 0.50
CYP11B2 P19099 4/20 0.50
BTK Q06187 1/20 0.49
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KCNH2 Q12809 2/20 0.43
HSP90AA1 P07900 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
GSTP1 P09211 1/20 0.42
RIPK2 O43353 2/20 0.42
ACHE P22303 1/20 0.41
HPGDS O60760 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 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
SCHEMBL17637853 0.84 MAP2K4 (0.47) SRCGAAGFERKCNH2RIPK2
SCHEMBL5372669 0.77 MAP2K4 (0.57) SRCCYP11B1CYP11B2BTK
SCHEMBL25892423 0.76 ALDH1A1 (0.44) SRCGAAGFERNPC1RAB9A
SCHEMBL18700210 0.75 CHEK2 (0.48) GAAGFERBTKSMN1; SMN2
SCHEMBL16197120 0.75 SCN9A (0.50) SRCBTK
SCHEMBL25891793 0.74 GAA (0.43) GAAGFERBTKCYP3A4
SCHEMBL27578364 0.74 BACE1 (0.55) GAAGFERHSP90AA1SMN1; SMN2KDM4E
SCHEMBL18700175 0.74 LTA4H (0.48) SRCGAAGFERBTKRAB9A
SCHEMBL16246947 0.73 SRC (1.00) SRCKCNH2RIPK2
SCHEMBL8308326 0.72 SIRT1 (0.45) GAAGFER

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 21 patents — showing the first 20. 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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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
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
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
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
EP-2999696-A1 5-AMINOPYRAZOLE-4-CARBOXAMIDE INHIBITORS OF CDPK1 FROM T. GONDII AND C. PARVUM University Of Washington Through Its Center For Commercialization (US) 2016-03-30 EP 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
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 SRC 1759/4885GAA 3085/4885GFER 4199/4885
US-20160090362-A1 5-AMINOPYRAZOLE-4-CARBOXAMIDE INHIBITORS OF CDPK1 FROM T. GONDII AND C. PARVUM PCK1, DCK, CILK1 SRC 1759/4885GAA 3085/4885GFER 4199/4885

“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.