SCHEMBL1638398

SCHEMBL1638398

Cc1cc(N2CCC(CO)CC2)c2c(C)cn(-c3c(Br)cc(Cl)cc3Br)c2n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.38
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
IRAK4 Q9NWZ3 4/20 0.32
IRAK1 P51617 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAP2K7 O14733 1/20 0.31
SMPD3 Q9NY59 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.30
PTGES O14684 1/20 0.30

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
SCHEMBL1637145 0.92 CRHR1 (0.37) CRHR1KDM4EHTTMEN1MAPK1
SCHEMBL1637996 0.92 MAOA (0.36) CRHR1KDM4EHTTMEN1MAPK1
SCHEMBL12593360 0.91 CRHR1 (0.40) CRHR1KDM4EHTTMEN1MAPK1
SCHEMBL1638079 0.91 CRHR1 (0.46) CRHR1KDM4EHTTIRAK4IRAK1
SCHEMBL1637834 0.91 CRHR1 (0.36) CRHR1KDM4EHTTMEN1MAPK1
SCHEMBL1637041 0.90 CRHR1 (0.39) CRHR1KDM4EHTTIRAK4IRAK1
Hydrochloric Acid SCHEMBL1638220 0.90 CRHR1 (0.45) CRHR1KDM4EHTTIRAK4IRAK1
SCHEMBL1762484 0.89 FFAR4 (0.40) CRHR1
SCHEMBL1636351 0.88 CRHR1 (0.33) CRHR1KDM4EHTTMEN1MAPK1
SCHEMBL1638150 0.88 CRHR1 (0.34) CRHR1KDM4EHTTMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455511-B2 Pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US claimed
EP-1787992-B1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO LTD (JP) 2009-04-29 EP claimed
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group TASHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 US claimed
EP-1787992-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-05-23 EP claimed
US-20050209253-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-09-22 US claimed
US-8455511-B2 Pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-8455511-B2 Pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-8455511-B2 Pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-7932259-B2 Pyrrolo[2,3-d]pyrimidine derivatives substituted with a cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group TASHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 US disclosed
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group TASHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 US disclosed
EP-1467997-B8 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO LTD (JP) 2008-08-27 EP disclosed
EP-1787992-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-05-23 EP disclosed
EP-1787992-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-05-23 EP disclosed
US-20050209253-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-09-22 US disclosed
EP-1467997-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-20 EP disclosed
WO-2004058767-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-07-15 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 (3 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-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group HRH2, HRH4, CRHR1 CRHR1 3/4885KDM4E 1303/4885HTT 236/4885
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH4, CRHR1 CRHR1 3/4885KDM4E 1230/4885HTT 227/4885
US-20050209253-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group HRH2, HRH4, HRH1 CRHR1 4/4885KDM4E 1595/4885HTT 190/4885

“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.