SCHEMBL19010277

SCHEMBL19010277

CCC(=O)N1CCN(c2ccc(Nc3cc(NCc4ccccc4F)c(C(C)=O)nn3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 9/20 0.43
STAT6 P42226 1/20 0.43
NAMPT P43490 1/20 0.42
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
SYK P43405 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
DPP4 P27487 1/20 0.40
DGAT1 O75907 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CYP2C19 P33261 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
SCHEMBL19010296 0.94 STAT6 (0.44) KMT2AMAPTSTAT6NAMPTMAPK1
SCHEMBL17021296 0.93 STAT6 (0.47) KMT2AMEN1HTTMAPTSTAT6
SCHEMBL19010274 0.92 GFER (0.49) KMT2AMEN1HTTMAPTSTAT6
SCHEMBL19010267 0.91 STAT6 (0.45) KMT2AMEN1HTTMAPTSTAT6
SCHEMBL19010264 0.91 MAPT (0.42) KMT2AMEN1MAPTSTAT6NAMPT
SCHEMBL19010374 0.87 JAK3 (0.48) NAMPT
SCHEMBL19010266 0.86 MAPT (0.45) KMT2AMEN1HTTMAPTSTAT6
SCHEMBL17021291 0.86 STAT6 (0.49) KMT2AMAPTSTAT6NAMPTMAPK1
SCHEMBL19010268 0.86 JAK3 (0.46) KMT2AMEN1MAPTSTAT6MAPK1
SCHEMBL17009130 0.86 STAT6 (0.49) KMT2AMEN1HTTMAPTSTAT6

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 KMT2A 1060/4885MEN1 2714/4885HTT 1061/4885

“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.