SCHEMBL12753138

SCHEMBL12753138

O=C(Nc1cccn2cc(-c3cccc(OC(F)(F)F)c3)nc12)c1cscn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.47
▸ HDAC1 Q13547 1/20 0.41
▸ DHODH Q02127 5/20 0.40
▸ MPL P40238 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A3 P47895 2/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 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
SCHEMBL12753188 0.86 CYP2C9 (0.45) FYNPOLBPIM1
SCHEMBL12753145 0.86 SMN1; SMN2 (0.54) IRAK4HDAC1DHODHMPLTP53
SCHEMBL12753199 0.84 DHODH (0.46) HDAC1DHODHPOLBALDH1A3PIM1
SCHEMBL12753124 0.83 DHODH (0.50) DHODHALDH1A3PIM1TP53SMN1; SMN2
SCHEMBL1033832 0.81 IRAK4 (0.47) IRAK4HDAC1DHODHMPLFYN
SCHEMBL1937113 0.76 P2RY14 (0.45) IRAK4HDAC1DHODHPIM1TP53
SCHEMBL1420203 0.76 DHODH (0.60) IRAK4DHODHALDH1A3TP53SMN1; SMN2
SCHEMBL12753187 0.75 DHODH (0.49) IRAK4DHODHPOLBALDH1A3TP53
SCHEMBL1481142 0.75 HPGD (0.46) DHODHMPLPOLBSMN1; SMN2KDM4E
SCHEMBL12029121 0.75 IRAK4 (0.43) IRAK4HDAC1DHODHPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 — — US disclosed
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 — — 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-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 IRAK4 441/4885HDAC1 22/4885DHODH 1141/4885

“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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