SCHEMBL12753187

SCHEMBL12753187

O=C(Nc1ccccc1)c1cccn2cc(-c3cccc(OC(F)(F)F)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ POLB P06746 6/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ LMNA P02545 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ GFER P55789 1/20 0.47
▸ TP53 P04637 4/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ P2RX1 P51575 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CLK1 P49759 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ PTK2B Q14289 1/20 0.42

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
SCHEMBL1420203 0.88 DHODH (0.60) DHODHKDM4ERAB9ASMN1; SMN2TP53
SCHEMBL1419742 0.85 RXFP1 (0.53) DHODHKDM4EMAPK1POLBRAB9A
SCHEMBL12753225 0.85 TP53 (0.42) KDM4EMAPK1POLBRAB9ALMNA
SCHEMBL1481142 0.84 HPGD (0.46) DHODHKDM4EPOLBRAB9ALMNA
SCHEMBL12753158 0.83 DHODH (0.69) DHODHKDM4EMAPK1POLBRAB9A
SCHEMBL12753178 0.82 PDE4B (0.45) DHODHKDM4EMAPK1RAB9ALMNA
SCHEMBL1419745 0.80 KDM4E (0.46) DHODHKDM4EMAPK1RAB9ASMN1; SMN2
SCHEMBL1033187 0.78 ABL1 (0.47) DHODHKDM4ESMN1; SMN2P2RX1KMT2A
SCHEMBL12753317 0.78 ABL1 (0.41) ABL1
SCHEMBL12753219 0.76 GCK (0.44) ABL1

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 DHODH 1141/4885KDM4E 1754/4885MAPK1 1247/4885

“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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