SCHEMBL4522272

SCHEMBL4522272

CCOC(=O)c1cnc2ccc(C#N)nc2c1O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 3/20 0.44
▸ DYRK1A Q13627 5/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NMT2 O60551 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RECQL P46063 1/20 0.41

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
SCHEMBL4498553 0.87 KMT2A (0.49) NMT1DYRK1AHSD17B10LMNANPC1
SCHEMBL6717272 0.85 DYRK1A (0.43) NMT1DYRK1AHSD17B10LMNANPC1
SCHEMBL3373163 0.83 DYRK1A (0.47) DYRK1AHSD17B10LMNANPC1RAB9A
SCHEMBL7920183 0.81 MAPK1 (0.46) DYRK1AHSD17B10LMNANPC1RAB9A
SCHEMBL6286366 0.81 DYRK1A (0.50) DYRK1ALMNANPC1RAB9AALDH1A1
SCHEMBL8326859 0.81 DYRK1A (0.45) DYRK1AHSD17B10LMNANPC1RAB9A
SCHEMBL3786466 0.81 TSHR (0.46) NMT1DYRK1AHSD17B10LMNANPC1
SCHEMBL8327180 0.81 DYRK1A (0.45) DYRK1AHSD17B10LMNANPC1RAB9A
SCHEMBL29810205 0.81 DYRK1A (0.50) DYRK1ALMNANPC1RAB9AALDH1A1
SCHEMBL29810202 0.81 DYRK1A (0.50) DYRK1ALMNANPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131444-A1 Aminopiperidine Quinolines and Their Azaisosteric Analogues with Antibacterial Activity ASTRAZENECA AB (SE) 2009-05-21 — — US disclosed
EP-1891078-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2008-02-27 — — EP disclosed
WO-2006125974-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2006-11-30 — — 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 (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-20090131444-A1 Aminopiperidine Quinolines and Their Azaisosteric Analogues with Antibacterial Activity AAAS, AMPD2, AMPD3 NMT1 850/4885DYRK1A 1202/4885HSD17B10 4776/4885

“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