SCHEMBL3594641

SCHEMBL3594641

Cc1cccc(Cn2c(C)c(C)c3nccc(N(Cc4ccc(F)cc4)C(=O)OC(C)(C)C)c32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
HTR1E P28566 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
S1PR3 Q99500 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MCL1 Q07820 1/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
KCNQ4 P56696 3/20 0.33
KCNQ5 Q9NR82 3/20 0.33
KDM1A O60341 1/20 0.33
HTR6 P50406 2/20 0.33
TP53 P04637 1/20 0.33
F2 P00734 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
Hydrochloric Acid SCHEMBL3594638 0.99 MCL1 (0.36) MAPK1HTR1ENPSR1S1PR3MAPT
SCHEMBL3588212 0.94 MAPT (0.36) MAPTSMN1; SMN2MEN1KMT2AMCL1
Hydrochloric Acid SCHEMBL3588209 0.93 MCL1 (0.37) MAPTSMN1; SMN2MEN1KMT2AMCL1
SCHEMBL3582540 0.91 MCL1 (0.38) NPSR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3583197 0.91 LMNA (0.41) MAPK1NPSR1MAPTTHRBSMN1; SMN2
Hydrochloric Acid SCHEMBL3582539 0.91 MCL1 (0.40) NPSR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3588704 0.91 ALDH1A1 (0.35) NPSR1MAPTTHRBMEN1KMT2A
Hydrochloric Acid SCHEMBL3583196 0.90 LMNA (0.41) MAPK1NPSR1MAPTTHRBMCL1
Hydrochloric Acid SCHEMBL3588700 0.90 ALDH1A1 (0.34) NPSR1MAPTTHRBMEN1KMT2A
SCHEMBL5616798 0.88 MAPK1 (0.36) MAPK1HTR1ENPSR1S1PR3MAPT

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 3 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

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 MAPK1 1896/4885HTR1E 1390/4885NPSR1 1712/4885

“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.