SCHEMBL1693590

SCHEMBL1693590

C=C(NC(C)=O)c1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.58
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ LMNA P02545 3/20 0.55
▸ NAPRT Q6XQN6 1/20 0.55
▸ P4HTM Q9NXG6 1/20 0.55
▸ CES2 O00748 1/20 0.52
▸ CES1 P23141 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.50
▸ RAB9A P51151 7/20 0.49
▸ NPC1 O15118 7/20 0.49
▸ AGTR1 P30556 6/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ KMT2A Q03164 4/20 0.48
▸ OPRK1 P41145 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ GAA P10253 3/20 0.47
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 2/20 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
SCHEMBL29852031 1.00 ALDH1A1 (0.58) ALDH1A1L3MBTL1LMNANAPRTP4HTM
SCHEMBL3188677 0.81 ALDH1A1 (0.62) ALDH1A1L3MBTL1LMNANAPRTP4HTM
SCHEMBL16429529 0.77 ALDH1A1 (0.50) ALDH1A1L3MBTL1LMNANAPRTP4HTM
2-Picolinic Acid SCHEMBL28065051 0.76 LMNA (0.74) ALDH1A1L3MBTL1LMNANAPRTP4HTM
SCHEMBL2932341 0.76 ALDH1A1 (0.55) ALDH1A1L3MBTL1LMNANAPRTP4HTM
SCHEMBL3035558 0.76 CES2 (0.69) ALDH1A1L3MBTL1LMNANAPRTP4HTM
2-Picolinic Acid SCHEMBL28045416 0.75 LMNA (0.71) ALDH1A1L3MBTL1LMNANAPRTP4HTM
2-Picolinic Acid SCHEMBL27658889 0.75 LMNA (0.87) ALDH1A1L3MBTL1LMNANAPRTP4HTM
Ethylene SCHEMBL27628336 0.75 ALDH1A1 (0.91) ALDH1A1L3MBTL1LMNANAPRTP4HTM
2-Picolinic Acid SCHEMBL5694340 0.75 LMNA (0.87) ALDH1A1L3MBTL1LMNANAPRTP4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582703-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2013-04-24 — — EP disclosed
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 — — US disclosed
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 — — US disclosed
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 — — US disclosed
CN-102933583-A Heteroaryl imidazolone derivatives as JAK inhibitors ALMIRALL SA 2013-02-13 — — CN disclosed
WO-2011157397-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-12-22 — — WO disclosed
WO-2011157397-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-12-22 — — WO disclosed
EP-2397482-A1 Heteroaryl imidazolone derivatives as jak inhibitors Almirall, S.A. (ES) 2011-12-21 — — EP disclosed
EP-2397482-A1 Heteroaryl imidazolone derivatives as jak inhibitors Almirall, S.A. (ES) 2011-12-21 — — EP 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-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 ALDH1A1 2406/4885L3MBTL1 4366/4885LMNA 4672/4885

“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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