SCHEMBL19010374

SCHEMBL19010374

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.48
EPHX2 P34913 5/20 0.39
EGFR P00533 3/20 0.39
LCK P06239 3/20 0.39
NAMPT P43490 2/20 0.38
ENPP2 Q13822 1/20 0.37
BTK Q06187 3/20 0.36
PTK2 Q05397 2/20 0.36
JAK2 O60674 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 1/20 0.35
IDO1 P14902 1/20 0.34

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
SCHEMBL17021383 0.93 JAK3 (0.52) JAK3EPHX2EGFRLCKNAMPT
SCHEMBL19010277 0.87 KMT2A (0.44) NAMPT
SCHEMBL19010262 0.87 JAK3 (0.51) JAK3EPHX2EGFRLCKNAMPT
SCHEMBL19010375 0.86 JAK3 (0.56) JAK3EPHX2EGFRLCKNAMPT
SCHEMBL4402545 0.83 JAK3 (0.68) JAK3EGFRLCKBTKPTK2
SCHEMBL19010296 0.81 STAT6 (0.44) JAK3NAMPTKDM4E
SCHEMBL17021283 0.80 JAK3 (0.55) JAK3EPHX2EGFRLCKNAMPT
SCHEMBL17021296 0.80 STAT6 (0.47) JAK3NAMPTJAK2
SCHEMBL17021280 0.79 JAK3 (0.61) JAK3EPHX2EGFRLCKENPP2
SCHEMBL19010274 0.79 GFER (0.49) ENPP2KDM4E

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-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

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 3/4885EPHX2 3287/4885EGFR 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.