SCHEMBL3592872

SCHEMBL3592872

Cc1[nH]c2c(N3CCc4cc(F)ccc4C3C)ccnc2c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.34
SCD O00767 2/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 5/20 0.31
HPGD P15428 2/20 0.31
EIF4E P06730 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
MAPT P10636 3/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.31
NR2F2 P24468 1/20 0.31
MAPK1 P28482 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
SCHEMBL1737805 0.82 CCNB2 (0.34) ROCK1SCDALDH1A1SMN1; SMN2KDM4E
SCHEMBL1739182 0.81 CCNB2 (0.33) ROCK1SCDALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL1735825 0.81 CCNB2 (0.33) ROCK1SCDALDH1A1SMN1; SMN2KDM4E
SCHEMBL1739177 0.81 CCNB2 (0.33) ROCK1SCDALDH1A1SMN1; SMN2KDM4E
SCHEMBL2771250 0.80 SCD (0.32) SCDALDH1A1SMN1; SMN2TRPA1NOTUM
Hydrochloric Acid SCHEMBL2768910 0.79 SCD (0.32) SCDALDH1A1SMN1; SMN2TRPA1
SCHEMBL15104234 0.74 HTR6 (0.35) KDM4EMAPTMEN1HTTKMT2A
SCHEMBL1737475 0.74 HTR2A (0.35) ROCK1SCDALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL3588276 0.73 HTR6 (0.35) KDM4EMAPTMEN1HTTKMT2A
SCHEMBL7837598 0.73 KDM4E (0.39) ROCK1ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784403-B1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2013-07-17 EP claimed
US-7642269-B2 Pyrrolo[3,2-B]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-01-05 US claimed
US-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-13 US claimed
EP-1784403-B1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2013-07-17 EP disclosed
US-7642269-B2 Pyrrolo[3,2-B]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-01-05 US disclosed
US-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-13 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-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, PPOX ROCK1 2490/4885SCD 3907/4885ALDH1A1 1933/4885

“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.