SCHEMBL1017248

SCHEMBL1017248

CSc1ccc(Br)cc1C=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.52
CYP2A6 P11509 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
PTPN1 P18031 1/20 0.38
PRKDC P78527 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CCR2 P41597 1/20 0.36
LMNA P02545 1/20 0.34
PIM3 Q86V86 2/20 0.34
PIM1 P11309 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 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
SCHEMBL31050324 1.00 ERN1 (0.52) ERN1CYP2A6PTGDR2PTPN1PRKDC
SCHEMBL13437720 0.84 ERN1 (0.47) ERN1CYP2A6PTGDR2PTPN1PRKDC
SCHEMBL10018345 0.83 ALDH1A1 (0.38) ERN1ALDH1A1CCR2CA12CA9
SCHEMBL16960520 0.80 ALDH1A1 (0.36) ERN1ALDH1A1CCR2
SCHEMBL16952858 0.80 ERN1 (0.38) ERN1PTGDR2ALDH1A1CCR2LMNA
SCHEMBL1145175 0.79 ERN1 (0.47) ERN1CYP2A6PTGDR2PTPN1PRKDC
SCHEMBL21558279 0.79 ERN1 (0.47) ERN1CYP2A6PTGDR2PTPN1PRKDC
SCHEMBL16528202 0.79 ERN1 (0.47) ERN1CYP2A6PTGDR2PTPN1PRKDC
SCHEMBL7820970 0.76 ERN1 (0.52) ERN1PTPN1ALDH1A1CCR2
SCHEMBL29950830 0.76 TYR (0.39) ERN1ALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed
EP-2271624-B9 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
EP-2271624-B1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-05-21 EP disclosed
US-8481569-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-09 US disclosed
US-8283660-B2 Small molecule semiconductor XEROX CORPORATION (US) 2012-10-09 US disclosed
US-8283660-B2 Small molecule semiconductor XEROX CORPORATION (US) 2012-10-09 US disclosed
US-8283660-B2 Small molecule semiconductor XEROX CORPORATION (US) 2012-10-09 US disclosed
US-20120161109-A1 SMALL MOLECULE SEMICONDUCTOR XEROX CORPORATION (US) 2012-06-28 US disclosed
US-20120161109-A1 SMALL MOLECULE SEMICONDUCTOR XEROX CORPORATION (US) 2012-06-28 US disclosed
US-20120161109-A1 SMALL MOLECULE SEMICONDUCTOR XEROX CORPORATION (US) 2012-06-28 US disclosed
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110039846-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-17 US disclosed
US-20110034464-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 US disclosed
EP-2271624-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-12 EP disclosed
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
WO-2009131245-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 WO disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 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 (8 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-20110034464-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 ERN1 3832/4885CYP2A6 1930/4885PTGDR2 119/4885
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS ERN1 974/4885CYP2A6 1581/4885PTGDR2 983/4885
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 ERN1 3832/4885CYP2A6 1930/4885PTGDR2 119/4885
US-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES THEREOF ADRA1D, ADRB1, ADRB2 ERN1 3831/4885CYP2A6 2038/4885PTGDR2 131/4885
US-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 ERN1 3832/4885CYP2A6 1930/4885PTGDR2 119/4885
US-20110039846-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 ERN1 3832/4885CYP2A6 1930/4885PTGDR2 119/4885
US-20120161109-A1 SMALL MOLECULE SEMICONDUCTOR SLC43A1, TST, SLC7A5 ERN1 3101/4885CYP2A6 1578/4885PTGDR2 710/4885
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof ADRA1D, ADRB1, ADRB2 ERN1 3832/4885CYP2A6 1930/4885PTGDR2 119/4885

“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.