SCHEMBL12593288

SCHEMBL12593288

Cc1cc(N2CCC(C)CC2)c2c(C)c(C)n(-c3c(C)cc(Cl)cc3C)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.39
LMNA P02545 4/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 5/20 0.34
MAPT P10636 5/20 0.34
TDP1 Q9NUW8 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
RAB9A P51151 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL12593285 0.89 CRHR1 (0.39) CRHR1LMNAHPGDALDH1A1HTT
SCHEMBL12593342 0.88 CRHR1 (0.40) CRHR1LMNAHTTKDM4EMAPT
SCHEMBL1636948 0.87 CRHR1 (0.37) CRHR1LMNAHTTKDM4EMAPT
SCHEMBL12535032 0.87 CRHR1 (0.37) CRHR1LMNAHTTKDM4EMAPT
SCHEMBL1637301 0.87 CRHR1 (0.37) CRHR1LMNAALDH1A1HTTKDM4E
SCHEMBL1637894 0.85 TDP1 (0.37) CRHR1LMNAALDH1A1HTTKDM4E
SCHEMBL1637898 0.84 JAK2 (0.36) CRHR1TDP1SMN1; SMN2GAA
SCHEMBL12535240 0.84 CRHR1 (0.36) CRHR1TDP1
SCHEMBL1762601 0.84 FFAR4 (0.43)
SCHEMBL1636342 0.84 TDP1 (0.40) CRHR1LMNAHTTKDM4EMAPT

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.