SCHEMBL12534743

SCHEMBL12534743

[C-]#[N+]C1CCCN(c2nc(C)nc3c2c(C)c(C)n3-c2ccc(C(F)(F)F)cc2Br)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.35
LMNA P02545 1/20 0.33
GAA P10253 4/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
NPY5R Q15761 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
HRH4 Q9H3N8 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
SCHEMBL12534728 0.89 CRHR1 (0.40) CRHR1GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL1636353 0.85 EIF2AK4 (0.37) CRHR1LMNAGAAKDM4EALDH1A1
SCHEMBL12534731 0.79 CRHR1 (0.50) CRHR1LRRK2MAP2K7
SCHEMBL12534721 0.77 CRHR1 (0.60) CRHR1LRRK2MAP2K7
SCHEMBL12534738 0.76 CRHR1 (0.37) CRHR1LRRK2
SCHEMBL12534745 0.76 CRHR1 (0.41) CRHR1LRRK2MAP2K7
SCHEMBL14277087 0.75 EIF2AK4 (0.37) CRHR1GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL12534813 0.75 CRHR1 (0.52) CRHR1
SCHEMBL1638189 0.73 CRHR1 (0.40) CRHR1GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL5024135 0.73 PTGS1 (0.41) CRHR1GAAKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7932259-B2 Pyrrolo[2,3-d]pyrimidine derivatives substituted with a cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group TASHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 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 (2 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 3/4885LMNA 4857/4885GAA 2192/4885
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH4, CRHR1 CRHR1 3/4885LMNA 4838/4885GAA 1921/4885

“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.