SCHEMBL4090694

SCHEMBL4090694

O=C(Cc1ccnc(F)c1)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.49
PLOD3 O60568 1/20 0.48
PLOD1 Q02809 1/20 0.48
ALDH1A1 P00352 1/20 0.44
APP P05067 1/20 0.44
GAA P10253 1/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
SARM1 Q6SZW1 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
SIRT4 Q9Y6E7 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 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
SCHEMBL4313456 0.85 LOXL2 (0.47) PLOD2PLOD3PLOD1ALDH1A1LOXL2
SCHEMBL4091982 0.82 LOXL2 (0.47) PLOD2PLOD3PLOD1ALDH1A1LOXL2
SCHEMBL3281996 0.81 ALDH1A1 (0.54) PLOD2PLOD3PLOD1ALDH1A1IDO1
SCHEMBL3059074 0.80 PLOD2 (0.59) PLOD2PLOD3PLOD1ALDH1A1APP
SCHEMBL828092 0.79 RAB9A (0.53) PLOD2ALDH1A1LOXL2KMT2ALMNA
SCHEMBL2662937 0.79 GAA (0.57) PLOD2PLOD3PLOD1ALDH1A1APP
SCHEMBL3891876 0.79 VNN1 (0.43) LOXL2HDAC8CTNNB1WNT3AHDAC6
SCHEMBL3896447 0.79 ERCC5 (0.46) ALDH1A1LOXL2KMT2ALMNA
SCHEMBL17672056 0.78 NAPRT (0.65) PLOD2PLOD3PLOD1ALDH1A1APP
SCHEMBL31326722 0.78 NAPRT (0.65) PLOD2PLOD3PLOD1ALDH1A1APP

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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 US disclosed
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 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 (2 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 PLOD2 4357/4885PLOD3 4354/4885PLOD1 4324/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 PLOD2 4357/4885PLOD3 4354/4885PLOD1 4324/4885

“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.