SCHEMBL16478644

SCHEMBL16478644

CCC1CN(C(=O)CC#N)CC1CC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRNB2 P17787 4/20 0.37
CHRNA3 P32297 4/20 0.37
CHRNA4 P43681 4/20 0.37
CHRNB3 Q05901 2/20 0.37
CHRNA6 Q15825 2/20 0.37
MCL1 Q07820 4/20 0.36
JAK1 P23458 6/20 0.36
JAK2 O60674 3/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA7 P36544 2/20 0.36
JAK3 P52333 3/20 0.35
TYK2 P29597 2/20 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
SCHEMBL12683438 0.89 IRAK4 (0.40) IRAK4MEN1ALDH1A1MAPTKMT2A
SCHEMBL16478695 0.89 IRAK4 (0.40) IRAK4MEN1ALDH1A1MAPTKMT2A
SCHEMBL12424315 0.86 ALDH1A1 (0.39) IRAK4MEN1ALDH1A1MAPTKMT2A
SCHEMBL12683417 0.82 MEN1 (0.41) IRAK4MEN1ALDH1A1MAPTKMT2A
SCHEMBL12683459 0.82 MEN1 (0.41) IRAK4MEN1ALDH1A1MAPTKMT2A
SCHEMBL15014577 0.82 ALDH1A1 (0.41) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL16478691 0.81 JAK3 (0.43) JAK1JAK2JAK3TYK2
SCHEMBL12683327 0.81 JAK3 (0.43) JAK1JAK2JAK3TYK2
SCHEMBL12424335 0.80 JAK2 (0.38) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL16478729 0.80 JAK1 (0.35) IRAK4MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987268-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 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-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 IRAK4 27/4885MEN1 3601/4885ALDH1A1 2349/4885

“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.