SCHEMBL12593293

SCHEMBL12593293

Cc1cc(N2CCC(C)CC2)c2c(C)c(C)n(-c3c(Br)cc(C(C)C)cc3Br)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.35
LMNA P02545 3/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 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
SCHEMBL12593351 0.89 CRHR1 (0.37) CRHR1
SCHEMBL1637984 0.88 CRHR1 (0.35) CRHR1
SCHEMBL12535174 0.88 CRHR1 (0.33) CRHR1KDM4EMAPK1MEN1HTT
SCHEMBL1637050 0.88 CRHR1 (0.33) CRHR1KDM4EMAPK1MEN1HTT
SCHEMBL1637695 0.86 CRHR1 (0.34) CRHR1
SCHEMBL12535241 0.86 CRHR1 (0.33) CRHR1
SCHEMBL1638527 0.86 CRHR1 (0.33) CRHR1
SCHEMBL1762818 0.85 FFAR4 (0.42)
SCHEMBL1637174 0.85 CRHR1 (0.33) CRHR1KDM4EMAPK1TDP1MEN1
SCHEMBL12593285 0.85 CRHR1 (0.39) CRHR1LMNAHPGDKDM4EMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124862-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 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 (1 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-20110124862-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS CRHR1, HRH2, CRHR2 CRHR1 1/4885LMNA 4809/4885HPGD 451/4885

“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.