SCHEMBL992292

SCHEMBL992292

CC(C)(C)OC(=O)N1CCC(C2CCC(Nc3cc(I)cc(Cl)n3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GPR119 Q8TDV5 11/20 0.41
SUV39H2 Q9H5I1 1/20 0.40
NSD2 O96028 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
CCNT1 O60563 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL992519 0.95 ALDH1A1 (0.49) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL992935 0.94 USP30 (0.39) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL992669 0.89 ALDH1A1 (0.53) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL935824 0.85 USP30 (0.46) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL1748497 0.76 ALDH1A1 (0.54) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL2414787 0.76 ALDH1A1 (0.52) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL30329928 0.75 ALDH1A1 (0.53) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL3784088 0.75 ALDH1A1 (0.45) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL3784091 0.75 ALDH1A1 (0.45) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL1042762 0.74 CDC7 (0.62) MAPK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454257-B1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2013-08-21 EP disclosed
US-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 US disclosed
EP-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 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 (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-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 ALDH1A1 2908/4885NPC1 3036/4885MAPT 2595/4885

“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.