SCHEMBL17021383

SCHEMBL17021383

CCC(=O)N1CCC(c2ccc(Nc3cc(NCc4ccccc4F)c(C(N)=O)nn3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.52
LCK P06239 6/20 0.44
EGFR P00533 4/20 0.44
BTK Q06187 5/20 0.41
EPHX2 P34913 1/20 0.39
STAT6 P42226 2/20 0.38
EML4 Q9HC35 1/20 0.38
ALK Q9UM73 1/20 0.38
NAMPT P43490 1/20 0.37
SYK P43405 2/20 0.37
PTK2 Q05397 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 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
SCHEMBL19010374 0.93 JAK3 (0.48) JAK3LCKEGFRBTKEPHX2
SCHEMBL4402545 0.87 JAK3 (0.68) JAK3LCKEGFRBTKSTAT6
SCHEMBL17021283 0.87 JAK3 (0.55) JAK3LCKEGFRBTKEPHX2
SCHEMBL17021296 0.87 STAT6 (0.47) JAK3STAT6NAMPTSYKJAK2
SCHEMBL17021280 0.87 JAK3 (0.61) JAK3LCKEGFRBTKEPHX2
SCHEMBL2694578 0.81 JAK3 (0.68) JAK3LCKEGFRBTKSTAT6
SCHEMBL17021291 0.81 STAT6 (0.49) JAK3STAT6NAMPTSYKJAK2
SCHEMBL10285711 0.80 JAK3 (0.58) JAK3BTKSTAT6SYKPTK2
SCHEMBL19010262 0.80 JAK3 (0.51) JAK3LCKEGFRBTKEPHX2
SCHEMBL19010277 0.80 KMT2A (0.44) STAT6NAMPTSYK

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
US-9834548-B2 Pyridazine compounds as JAK inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-9834548-B2 Pyridazine compounds as JAK inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20170174673-A1 PYRIDAZINE COMPOUNDS AS JAK INHIBITORS ALEXION PHARMACEUTICALS, INC. 2017-06-22 US disclosed
US-20170174673-A1 PYRIDAZINE COMPOUNDS AS JAK INHIBITORS ALEXION PHARMACEUTICALS, INC. 2017-06-22 US disclosed
WO-2015123453-A1 PYRIDAZINE COMPOUNDS AS JAK INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-20 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-20170174673-A1 PYRIDAZINE COMPOUNDS AS JAK INHIBITORS JAK1, JAK2, JAK3 JAK3 3/4885LCK 150/4885EGFR 1029/4885

“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.