SCHEMBL16212319

SCHEMBL16212319

CNc1ccn2cc(-c3ccc(COC(C)=O)cc3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ NPC1 O15118 6/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ HPGD P15428 4/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ SUV39H2 Q9H5I1 5/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ ADRB2 P07550 1/20 0.45
▸ TP53 P04637 1/20 0.42
▸ APP P05067 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ TLR9 Q9NR96 2/20 0.40
▸ TLR7 Q9NYK1 2/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ GAA P10253 1/20 0.40

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
Acetic Acid SCHEMBL16212317 0.84 SUV39H2 (0.53) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL16212578 0.82 TLR9 (0.61) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL16220801 0.82 SUV39H2 (0.57) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL16212744 0.81 NPC1 (0.50) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL16212395 0.81 NPC1 (0.58) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL16212053 0.79 ALDH1A1 (0.57) KDM4EALDH1A1NPC1RAB9AHPGD
Acetic Acid SCHEMBL16212216 0.79 NPC1 (0.59) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL17626775 0.79 PDE10A (0.44) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL16212166 0.77 SMN1; SMN2 (0.70) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL16212533 0.76 KDM4E (0.69) KDM4EALDH1A1NPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2021-04-13 — — US disclosed
US-20190048003-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-02-14 — — US disclosed
EP-2991983-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-03-09 — — EP disclosed
WO-2014177458-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-11-06 — — 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 (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-20190048003-A1 2-PHENYL OR 2-HETARYL IMIDAZOL[1,2-a]PYRIDINE DERIVATIVES HTR3D, GDI2, GDI1 KDM4E 4376/4885ALDH1A1 2878/4885NPC1 68/4885
US-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HTR3D, PTGDR2, PTGIR KDM4E 4358/4885ALDH1A1 2980/4885NPC1 66/4885

“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.

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