SCHEMBL729892

SCHEMBL729892

O=C(OCc1ccc2ccccc2c1)N1CC[C@@H](O)[C@@H](F)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP2C19 P33261 1/20 0.44
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43
GBA1 P04062 2/20 0.42
UGCG Q16739 2/20 0.42
GBA2 Q9HCG7 2/20 0.42
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
PREP P48147 1/20 0.39
PDE4B Q07343 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
SCHEMBL729095 1.00 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ACYP2C19F13A1
SCHEMBL729096 1.00 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ACYP2C19F13A1
SCHEMBL729681 0.90 F13A1 (0.43) SMN1; SMN2NPC1RAB9ACYP2C19F13A1
SCHEMBL729680 0.90 F13A1 (0.43) SMN1; SMN2NPC1RAB9ACYP2C19F13A1
SCHEMBL2220843 0.86 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL1965149 0.86 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL1964531 0.86 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL1964533 0.86 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL2167109 0.86 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL730005 0.82 F13A1 (0.43) SMN1; SMN2NPC1RAB9ACYP2C19F13A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137184-B1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-05-08 EP disclosed
US-8138181-B2 Imidazo[1,2-a]pyridine compounds as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-03-20 US disclosed
US-20100029633-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-02-04 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-20100029633-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS PIM1, PIM3, PIM2 SMN1; SMN2 3711/4885NPC1 3848/4885RAB9A 1816/4885

“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.