SCHEMBL17540253

SCHEMBL17540253

C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
SRC P12931 2/20 0.43
AAK1 Q2M2I8 7/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RECQL P46063 1/20 0.42
CACNA1B Q00975 1/20 0.40
TRPA1 O75762 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL29079182 0.81 AAK1 (0.47) MAPTALDH1A1SRCAAK1CTSS
SCHEMBL17540252 0.79 MAPT (0.39) MAPTALDH1A1GAAKDM4EGLA
SCHEMBL26837302 0.78 MAPT (0.48) MAPTALDH1A1GAAKDM4EGLA
SCHEMBL26814982 0.77 TRPA1 (0.48) MAPTALDH1A1GAAKDM4EGLA
SCHEMBL29079144 0.77 AAK1 (0.43) MAPTALDH1A1GAASRCAAK1
SCHEMBL23493265 0.77 KDM4E (0.64) MAPTALDH1A1GAAKDM4EGLA
SCHEMBL23493263 0.77 KDM4E (0.64) MAPTALDH1A1GAAKDM4EGLA
SCHEMBL30184764 0.77 KDM4E (0.64) MAPTALDH1A1GAAKDM4EGLA
SCHEMBL30471370 0.77 KLK5 (0.51) MAPTALDH1A1GAAKDM4EGLA
SCHEMBL12890771 0.77 KLK5 (0.51) MAPTALDH1A1GAAKDM4EGLA

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-20160046639-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-02-18 US disclosed
US-20160046639-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-02-18 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-20160046639-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS ROS1, JAK1, ERBB2 MAPT 1897/4885ALDH1A1 860/4885GAA 2515/4885

“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.