SCHEMBL992935

SCHEMBL992935

CC(C)(C)OC(=O)N1CCCC(C2CCC(Nc3cc(I)cc(Cl)n3)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EHMT2 Q96KQ7 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NSD2 O96028 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PARP1 P09874 1/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
GPR119 Q8TDV5 2/20 0.36

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
SCHEMBL992292 0.94 ALDH1A1 (0.44) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL992519 0.89 ALDH1A1 (0.49) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL935824 0.89 USP30 (0.46) USP30ALDH1A1CNR1CNR2NPC1
SCHEMBL992669 0.85 ALDH1A1 (0.53) ALDH1A1CNR1CNR2NPC1MAPT
SCHEMBL1047181 0.76 HTR6 (0.48) USP30MEN1KMT2A
SCHEMBL31683762 0.74 MEN1 (0.55) USP30ALDH1A1MAPTMEN1KMT2A
SCHEMBL12808125 0.74 MEN1 (0.55) USP30ALDH1A1MAPTMEN1KMT2A
SCHEMBL30605598 0.74 USP30 (0.50) USP30ALDH1A1CNR1CNR2NPC1
SCHEMBL30605602 0.74 USP30 (0.50) USP30ALDH1A1CNR1CNR2NPC1
SCHEMBL376545 0.73 USP30 (0.46) USP30ALDH1A1CNR1CNR2NPC1

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 USP30 2548/4885ALDH1A1 2908/4885CNR1 4055/4885

“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.