SCHEMBL16468486

SCHEMBL16468486

C[C@H](O)[C@H](CO)NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.38
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
OR51E2 Q9H255 1/20 0.35
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ASAH1 Q13510 1/20 0.33
TGFBR1 P36897 2/20 0.32
MME P08473 3/20 0.32
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL25173479 1.00 PAX8 (0.38) PAX8CYP2D6CYP2C19TDP1OR51E2
SCHEMBL20572594 1.00 PAX8 (0.38) PAX8CYP2D6CYP2C19TDP1OR51E2
SCHEMBL3743604 1.00 PAX8 (0.38) PAX8CYP2D6CYP2C19TDP1OR51E2
SCHEMBL3743599 1.00 PAX8 (0.38) PAX8CYP2D6CYP2C19TDP1OR51E2
SCHEMBL1261511 0.83 CNR1 (0.39) PAX8CYP2D6CYP2C19OR51E2TGFBR1
SCHEMBL1120240 0.83 CNR1 (0.39) PAX8CYP2D6CYP2C19OR51E2TGFBR1
SCHEMBL16648831 0.83 CNR1 (0.39) PAX8CYP2D6CYP2C19OR51E2TGFBR1
SCHEMBL16165794 0.81 CYP2D6 (0.36) CYP2D6CYP2C19TP53MEN1KMT2A
SCHEMBL12177590 0.81 MAPT (0.45) PAX8CYP2D6CYP2C19TDP1TP53
SCHEMBL18823386 0.81 MAPT (0.45) PAX8CYP2D6CYP2C19TDP1TP53

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-9751887-B2 Imidazo[1,2-b]pyridazine derivatives as kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-09-05 US disclosed
US-20160046639-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-02-18 US disclosed
US-9187489-B2 Imidazo[1,2-b]pyridazine derivatives as kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-11-17 US disclosed
EP-2857404-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVE AS KINASE INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2015-04-08 EP disclosed
US-20150051190-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-19 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 (2 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-20150051190-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS ROS1, JAK1, ERBB2 PAX8 3530/4885CYP2D6 2133/4885CYP2C19 1507/4885
US-20160046639-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS ROS1, JAK1, ERBB2 PAX8 3530/4885CYP2D6 2133/4885CYP2C19 1507/4885

“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.