SCHEMBL935824

SCHEMBL935824

CC(C)(C)OC(=O)N1CCCC(Nc2cc(I)cc(Cl)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PARP1 P09874 1/20 0.43
EHMT2 Q96KQ7 1/20 0.42
ANO1 Q5XXA6 2/20 0.41
BTK Q06187 1/20 0.41
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PBK Q96KB5 1/20 0.40
ALDH1A1 P00352 2/20 0.40
PIK3CD O00329 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL992935 0.89 USP30 (0.39) USP30CNR1CNR2HDAC4HDAC6
SCHEMBL992669 0.87 ALDH1A1 (0.53) CNR1CNR2EHMT2ALDH1A1NPC1
SCHEMBL992292 0.85 ALDH1A1 (0.44) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL30605598 0.84 USP30 (0.50) USP30CNR1CNR2HDAC4HDAC6
SCHEMBL30605602 0.84 USP30 (0.50) USP30CNR1CNR2HDAC4HDAC6
SCHEMBL992519 0.84 ALDH1A1 (0.49) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL376546 0.83 USP30 (0.46) USP30CNR1CNR2HDAC4HDAC6
SCHEMBL376545 0.83 USP30 (0.46) USP30CNR1CNR2HDAC4HDAC6
SCHEMBL31227721 0.82 USP30 (0.49) USP30CNR1CNR2HDAC4HDAC6
SCHEMBL29261756 0.82 USP30 (0.42) USP30CNR1CNR2HDAC4HDAC6

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-2454262-B1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LAB (US) 2014-05-14 EP disclosed
US-8383624-B2 Pyrrolopyrazine inhibitors of kinases ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
EP-2454262-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US disclosed
WO-2011008830-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO 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-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES CDC7, CDK7, CDK17 USP30 2477/4885CNR1 3672/4885CNR2 4181/4885

“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.