SCHEMBL4500494

SCHEMBL4500494

Cc1ccn2cc(-c3c(-c4ccccc4)noc3C)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 9/20 0.52
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 7/20 0.52
HPGD P15428 3/20 0.52
GAA P10253 2/20 0.52
PTGS1 P23219 2/20 0.51
PTGS2 P35354 2/20 0.51
NPC1 O15118 9/20 0.49
MAPK1 P28482 1/20 0.47
MAPT P10636 4/20 0.47
PKM P14618 3/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
GFER P55789 2/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4488222 0.88 PTGS2 (0.49) RAB9AKDM4EALDH1A1HPGDGAA
SCHEMBL4487535 0.88 PTGS2 (0.49) RAB9AKDM4EALDH1A1GAAPTGS1
SCHEMBL4495297 0.86 KDM4E (0.64) RAB9AKDM4EALDH1A1HPGDGAA
SCHEMBL4490855 0.86 PTGS2 (0.55) SMN1; SMN2TP53RAB9AKDM4EALDH1A1
SCHEMBL4503190 0.85 PTGS2 (0.46) SMN1; SMN2TP53RAB9AKDM4EALDH1A1
SCHEMBL4499077 0.85 MAPK14 (0.46) SMN1; SMN2RAB9AKDM4EALDH1A1HPGD
SCHEMBL4501838 0.84 NPC1 (0.61) SMN1; SMN2TP53RAB9AKDM4EALDH1A1
SCHEMBL4488397 0.83 PTGS2 (0.44) SMN1; SMN2TP53RAB9AKDM4EALDH1A1
SCHEMBL4488302 0.82 ALDH1A1 (0.46) SMN1; SMN2RAB9AKDM4EALDH1A1HPGD
SCHEMBL4486580 0.81 PTGS2 (0.51) SMN1; SMN2TP53RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585874-B2 Aryl-isoxazol-4-yl-imidazo[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-09-08 US claimed
EP-1979350-A1 ARYL-ISOXAZOL-4-YL-IMIDAZO[1,2-A]PYRIDINE USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE VIA GABA RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP claimed
US-20070179178-A1 Aryl-isoxazol-4-yl-imidazo[1,2-a]pyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 US claimed
WO-2007082806-A1 ARYL-ISOXAZOL-4-YL-IMIDAZO[1,2-A]PYRIDINE USEFUL FOR THE TREATMENT OF ALZHEIMER’S DISEASE VIA GABA RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO claimed
US-7585874-B2 Aryl-isoxazol-4-yl-imidazo[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-09-08 US disclosed
EP-1979350-A1 ARYL-ISOXAZOL-4-YL-IMIDAZO[1,2-A]PYRIDINE USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE VIA GABA RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
US-20070179178-A1 Aryl-isoxazol-4-yl-imidazo[1,2-a]pyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 US disclosed
WO-2007082806-A1 ARYL-ISOXAZOL-4-YL-IMIDAZO[1,2-A]PYRIDINE USEFUL FOR THE TREATMENT OF ALZHEIMER’S DISEASE VIA GABA RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO 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-20070179178-A1 Aryl-isoxazol-4-yl-imidazo[1,2-a]pyridine derivatives GABRA5, GABRA4, GABRA1 SMN1; SMN2 3128/4885TP53 3469/4885RAB9A 1607/4885

“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.