SCHEMBL1636864

SCHEMBL1636864

Cc1nc(N2CCC(CCCO)CC2)c2c(C)c(C)n(-c3c(Br)cc(C(F)(F)F)cc3Br)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.43
TDP1 Q9NUW8 1/20 0.36
MAP2K7 O14733 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
GABRB3 P28472 1/20 0.33
CYP11B2 P19099 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
POLB P06746 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND2 P30279 1/20 0.32
CCND3 P30281 1/20 0.32
ENPP1 P22413 1/20 0.31

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
SCHEMBL1637230 0.94 CRHR1 (0.45) CRHR1TDP1MAP2K7KDM4EALDH1A1
SCHEMBL1637965 0.92 CRHR1 (0.45) CRHR1TDP1MAP2K7KDM4EALDH1A1
SCHEMBL1636906 0.86 CRHR1 (0.39) CRHR1TDP1MAP2K7KDM4EALDH1A1
SCHEMBL1638381 0.86 CRHR1 (0.53) CRHR1TDP1MAP2K7SMN1; SMN2CYP11B2
SCHEMBL1637967 0.86 CRHR1 (0.47) CRHR1TDP1MAP2K7SMN1; SMN2GAA
SCHEMBL1637127 0.85 CRHR1 (0.43) CRHR1MAP2K7KDM4EALDH1A1SMN1; SMN2
SCHEMBL12534773 0.85 CRHR1 (0.43) CRHR1MAP2K7KDM4EALDH1A1SMN1; SMN2
SCHEMBL1637955 0.84 CRHR1 (0.44) CRHR1TDP1MAP2K7SMN1; SMN2CYP11B2
SCHEMBL5024135 0.84 PTGS1 (0.41) CRHR1MAP2K7KDM4EALDH1A1SMN1; SMN2
SCHEMBL1636997 0.84 CRHR1 (0.62) CRHR1TDP1MAP2K7CYP11B2CDK4

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 22 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
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
EP-1787992-B1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO LTD (JP) 2009-04-29 EP 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
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group TASHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 US disclosed
EP-1467997-B1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO LTD (JP) 2008-03-26 EP disclosed
US-20050209253-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-09-22 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 (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 3/4885TDP1 2392/4885MAP2K7 1653/4885
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH4, CRHR1 CRHR1 3/4885TDP1 2300/4885MAP2K7 1632/4885
US-20050209253-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group HRH2, HRH4, HRH1 CRHR1 4/4885TDP1 2239/4885MAP2K7 1248/4885

“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.