SCHEMBL15074609

SCHEMBL15074609

Cc1cnc2c(c1)COC(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MB P02144 2/20 0.39
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
MET P08581 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
LTK P29376 1/20 0.33
GRK5 P34947 1/20 0.33

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
SCHEMBL2279181 0.80 CYP11B1 (0.37) MBCYP11B1CYP11B2CHEK1AURKA
SCHEMBL16941391 0.80 CYP11B1 (0.35) MBCYP11B1CYP11B2CHEK1AURKA
SCHEMBL15595069 0.79 CHEK1 (0.39) MBCHEK1AURKADAPK3PRKD3
SCHEMBL21382264 0.75 GSK3A (0.36) MBCYP11B1CYP11B2PDGFRBKDR
SCHEMBL728499 0.74 ABL1 (0.58) MBCHEK1AURKADAPK3PRKD3
SCHEMBL6368447 0.72 CRBN (0.51) CHEK1AURKADAPK3PRKD3MAP4K4
SCHEMBL29765428 0.72 CYP11B1 (0.38) MBCYP11B1CYP11B2PDE3BPDE3A
SCHEMBL18425288 0.72 CYP11B1 (0.38) MBCYP11B1CYP11B2PDE3BPDE3A
SCHEMBL15911934 0.71 MB (0.35) MBCHEK1AURKADAPK3PRKD3
SCHEMBL15074619 0.71 MB (0.66) MBCYP11B1CYP11B2CHEK1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2882739-B1 NEW ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-05-03 EP disclosed
US-9315522-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2016-04-19 US disclosed
US-9296760-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2016-03-29 US disclosed
US-20150225424-A1 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2015-08-13 US disclosed
US-20150210719-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND US (IE) 2015-07-30 US disclosed
WO-2014023814-A1 NEW ANTIBACTERIAL COMPOUNDS JANSSEN R&D IRELAND (IE) 2014-02-13 WO disclosed
WO-2014023815-A1 NEW ANTIBACTERIAL COMPOUNDS JANSSEN R&D IRELAND (IE) 2014-02-13 WO disclosed
WO-2013096642-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
WO-2013096630-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
WO-2013096637-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
US-20130165472-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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 (5 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-20130165472-A1 HETEROARYLS AND USES THEREOF PIK3R4, VPS4B, PIK3C2A MB 4860/4885CYP11B1 1084/4885CYP11B2 1320/4885
US-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B MB 4655/4885CYP11B1 1087/4885CYP11B2 1579/4885
US-20150210719-A1 ANTIBACTERIAL COMPOUNDS FAR1, GAA, ECI1 MB 1872/4885CYP11B1 1668/4885CYP11B2 1977/4885
US-20150225424-A1 Antibacterial compounds FAR1, GAA, ECI1 MB 1872/4885CYP11B1 1668/4885CYP11B2 1977/4885
US-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 MB 4349/4885CYP11B1 955/4885CYP11B2 1107/4885

“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.