SCHEMBL993359

SCHEMBL993359

CC(C)(C)OC(=O)NC1CCCC(Nc2cc(I)cc(Cl)n2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.48
CDK9 P50750 2/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 1/20 0.40
JAK3 P52333 2/20 0.39
SUV39H2 Q9H5I1 4/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
KAT8 Q9H7Z6 4/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CDC7 O00311 1/20 0.35
DAPK3 O43293 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35

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
SCHEMBL955459 0.82 GRM5 (0.43) CDK9PIM1JAK3CDC7DAPK3
SCHEMBL955397 0.80 CDK9 (0.51) CDK9KMT2APIM1JAK3CDC7
SCHEMBL26976879 0.78 BTK (0.48) BTKCDK9KMT2AL3MBTL1PIM1
SCHEMBL18966160 0.78 BTK (0.48) BTKCDK9KMT2AL3MBTL1PIM1
SCHEMBL992958 0.78 ADORA3 (0.39) BTKCDK9PIM1JAK3SUV39H2
SCHEMBL992960 0.78 ADORA3 (0.39) BTKCDK9PIM1JAK3SUV39H2
SCHEMBL935824 0.78 USP30 (0.46) BTKKMT2AL3MBTL1PIM1PIM2
SCHEMBL30321332 0.78 KMT2A (0.47) BTKCDK9KMT2AL3MBTL1PIM1
SCHEMBL992669 0.77 ALDH1A1 (0.53) L3MBTL1KDM1ADYRK1A
SCHEMBL935236 0.76 PIM1 (0.46) CDK9KMT2APIM1PIM2JAK3

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 BTK 391/4885CDK9 109/4885KMT2A 1151/4885

“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.