SCHEMBL1636778

SCHEMBL1636778

Cc1nc(N2CCCC(CO)C2)c2c(C)cn(-c3c(C)cc(Br)cc3C)c2n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.42
PDE10A Q9Y233 1/20 0.38
IRAK1 P51617 1/20 0.36
SYK P43405 5/20 0.36
PTGER4 P35408 2/20 0.35
ALDH1A1 P00352 2/20 0.35
FPR3 P25089 2/20 0.34
TSPO P30536 2/20 0.34
CRHR1 P34998 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
MAP2K7 O14733 2/20 0.34
POLB P06746 2/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1636782 0.93 KHK (0.42) KHKPDE10AIRAK1SYKPTGER4
SCHEMBL1636154 0.92 KHK (0.35) KHKPDE10AIRAK1SYKALDH1A1
SCHEMBL1637091 0.92 MAP2K7 (0.42) KHKPDE10ASYKPTGER4FPR3
SCHEMBL13890659 0.90 KHK (0.42) KHKPDE10AIRAK1SYKPTGER4
SCHEMBL29482249 0.88 MAP2K7 (0.45) PDE10ASYKFPR3TSPOCRHR1
SCHEMBL1039739 0.88 MAP2K7 (0.45) PDE10ASYKFPR3TSPOCRHR1
SCHEMBL1637913 0.88 CRHR1 (0.33) KHKALDH1A1FPR3TSPOCRHR1
SCHEMBL1636162 0.88 KHK (0.40) KHKPDE10AIRAK1SYKPTGER4
SCHEMBL1637874 0.88 PDE10A (0.39) KHKPDE10AIRAK1SYKPTGER4
Hydrochloric Acid SCHEMBL1637180 0.87 MAP2K7 (0.44) PDE10ASYKFPR3TSPOCRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932259-B2 Pyrrolo[2,3-d]pyrimidine derivatives substituted with a cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US claimed
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group TASHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 US claimed
EP-1467997-B8 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO LTD (JP) 2008-08-27 EP claimed
EP-1467997-B1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO LTD (JP) 2008-03-26 EP claimed
US-20050209253-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-09-22 US claimed
EP-1467997-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-20 EP claimed
WO-2004058767-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-07-15 WO 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
EP-1467997-B1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO LTD (JP) 2008-03-26 EP disclosed
EP-1467997-B1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO LTD (JP) 2008-03-26 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 KHK 4342/4885PDE10A 895/4885IRAK1 1374/4885
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH4, CRHR1 KHK 4351/4885PDE10A 816/4885IRAK1 1217/4885
US-20050209253-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group HRH2, HRH4, HRH1 KHK 4327/4885PDE10A 985/4885IRAK1 770/4885

“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.