SCHEMBL23220152

SCHEMBL23220152

CC(C(=O)OC(C)(C)C)c1ccn2cc(-c3ccc(CO)cc3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ FFAR1 O14842 6/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ SUV39H2 Q9H5I1 4/20 0.38
▸ APP P05067 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ADRB2 P07550 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
SCHEMBL8866652 0.75 SUV39H2 (0.45) PTGS1PTGS2KDM4ENPC1RAB9A
SCHEMBL12970576 0.73 SMN1; SMN2 (0.73) KDM4ENPC1RAB9AALDH1A1HPGD
Acetic Acid SCHEMBL16212577 0.70 TLR9 (0.65) KDM4ENPC1RAB9AALDH1A1HPGD
Acetic Acid SCHEMBL16212317 0.70 SUV39H2 (0.53) PTGS1PTGS2KDM4ENPC1RAB9A
SCHEMBL16220801 0.70 SUV39H2 (0.57) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL16212530 0.70 TLR9 (0.69) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL8866307 0.70 SUV39H2 (0.46) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL8866424 0.69 ALDH1A1 (0.46) PTGS1PTGS2KDM4ENPC1RAB9A
SCHEMBL16212288 0.69 SUV39H2 (0.39) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL26526468 0.69 PARP1 (0.46) KDM4ENPC1RAB9AALDH1A1HPGD

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 1 patent. 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

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-10975073-B2 Imaging methods using 2-hetaryl imidazol[1,2-a]pyridine derivatives HTR3D, PTGDR2, PTGIR PTGS1 57/4885PTGS2 24/4885KDM4E 4358/4885

“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.

Send feedback