SCHEMBL731052

SCHEMBL731052

O=C(OCc1ccccc1)N1CC[C@H](Oc2cccc3cccnc23)[C@@H](F)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP2C19 P33261 1/20 0.43
CYP2D6 P10635 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP3A4 P08684 3/20 0.42
EGLN1 Q9GZT9 1/20 0.41
PDE4B Q07343 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41

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
SCHEMBL731051 1.00 GRIN2B (0.47) GRIN2BSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL731934 0.87 SMN1; SMN2 (0.43) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL731935 0.87 SMN1; SMN2 (0.43) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2770114 0.85 GRIN2B (0.54) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2770111 0.85 GRIN2B (0.54) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2770108 0.85 GRIN2B (0.54) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4446931 0.85 KDM4E (0.48) SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL729950 0.82 GPR119 (0.44) KDM4E
SCHEMBL729951 0.82 GPR119 (0.44) KDM4E
SCHEMBL731823 0.80 SMN1; SMN2 (0.43) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19

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 GRIN2B 3108/4885SMN1; SMN2 3711/4885NPC1 3848/4885

“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.