SCHEMBL1039739

SCHEMBL1039739

Cc1nc(N2CCC(CO)CC2)c2c(C)cn(-c3c(C)cc(Br)cc3C)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 1/20 0.45
CRHR1 P34998 3/20 0.36
FPR3 P25089 2/20 0.36
TSPO P30536 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36
CHRM3 P20309 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE10A Q9Y233 5/20 0.33
SYK P43405 1/20 0.32
HIF1A Q16665 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ENPP1 P22413 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LRRK2 Q5S007 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 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
SCHEMBL29482249 1.00 MAP2K7 (0.45) MAP2K7CRHR1FPR3TSPOTMEM97
Hydrochloric Acid SCHEMBL1637180 0.99 MAP2K7 (0.44) MAP2K7CRHR1FPR3TSPOTMEM97
SCHEMBL1637091 0.96 MAP2K7 (0.42) MAP2K7CRHR1FPR3TSPOTMEM97
SCHEMBL1636245 0.93 MAP2K7 (0.44) MAP2K7CRHR1FPR3TSPOTMEM97
SCHEMBL1636814 0.92 MAP2K7 (0.37) MAP2K7CRHR1FPR3TSPOTMEM97
SCHEMBL1636114 0.91 MAP2K7 (0.46) MAP2K7CRHR1FPR3TSPOTMEM97
Hydrochloric Acid SCHEMBL1638286 0.91 MAP2K7 (0.37) MAP2K7CRHR1FPR3TSPOTMEM97
SCHEMBL1637146 0.91 MAP2K7 (0.43) MAP2K7CRHR1CHRM3PDE4APDE4B
SCHEMBL12593337 0.90 CRHR1 (0.39) MAP2K7CRHR1FPR3TSPOTMEM97
SCHEMBL1638289 0.90 MAP2K7 (0.42) MAP2K7CRHR1FPR3TSPOTMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276481-B1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF ANXIETY JANSSEN PHARMACEUTICA NV (BE) 2014-07-30 EP claimed
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-20090247616-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF ANXIETY JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-01 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-11730739-B2 Treatment of congenital adrenal hyperplasia NEUROCRINE BIOSCIENCES, INC. (US) 2023-08-22 US disclosed
US-11730739-B2 Treatment of congenital adrenal hyperplasia NEUROCRINE BIOSCIENCES, INC. (US) 2023-08-22 US disclosed
US-11311544-B2 Treatment of congenital adrenal hyperplasia NEUROCRINE BIOSCIENCES, INC. (US) 2022-04-26 US disclosed
US-20210361659-A1 TREATMENT OF CONGENITAL ADRENAL HYPERPLASIA NEUROCRINE BIOSCIENCES, INC. 2021-11-25 US disclosed
US-20210207199-A1 Genetic Predictors of a Response to Treatment with CRHR1 Antagonists HMNC Holding GmbH (DE) 2021-07-08 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-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 (7 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 MAP2K7 1653/4885CRHR1 3/4885FPR3 157/4885
US-20210361659-A1 TREATMENT OF CONGENITAL ADRENAL HYPERPLASIA CRHR1, MC2R, CRH MAP2K7 1592/4885CRHR1 1/4885FPR3 899/4885
US-20090247616-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF ANXIETY GABBR1, GABBR2, XDH MAP2K7 2448/4885CRHR1 178/4885FPR3 2173/4885
US-11730739-B2 Treatment of congenital adrenal hyperplasia CRHR1, MC2R, CRH MAP2K7 1592/4885CRHR1 1/4885FPR3 899/4885
US-20210207199-A1 Genetic Predictors of a Response to Treatment with CRHR1 Antagonists CRHR1, CRHR2, CRH MAP2K7 2700/4885CRHR1 1/4885FPR3 125/4885
US-20050209253-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group HRH2, HRH4, HRH1 MAP2K7 1248/4885CRHR1 4/4885FPR3 239/4885
US-11311544-B2 Treatment of congenital adrenal hyperplasia CRHR1, MC2R, CRH MAP2K7 1592/4885CRHR1 1/4885FPR3 899/4885

“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.