SCHEMBL4091982

SCHEMBL4091982

O=C(Cc1ccnc(F)c1)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
PLOD2 O00469 2/20 0.42
PLOD3 O60568 2/20 0.42
PLOD1 Q02809 2/20 0.42
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
LTA4H P09960 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39

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 0.87 LOXL2 (0.47) LOXL2PLOD2PLOD3PLOD1CYP3A4
SCHEMBL828092 0.87 RAB9A (0.53) LOXL2PLOD2CYP3A4ALDH1A1HPGD
SCHEMBL3618613 0.84 LOXL2 (0.45) LOXL2CYP3A4ALDH1A1HPGDGABRP
SCHEMBL4090694 0.82 PLOD2 (0.49) LOXL2PLOD2PLOD3PLOD1ALDH1A1
SCHEMBL6203734 0.80 ALDH1A1 (0.55) PLOD2PLOD3PLOD1CYP3A4ALDH1A1
SCHEMBL5762281 0.79 ALDH1A1 (0.44) LOXL2CYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL3282004 0.79 NAMPT (0.48) PLOD2PLOD3PLOD1CYP3A4ALDH1A1
SCHEMBL3891876 0.78 VNN1 (0.43) LOXL2HPGDFFAR1CTNNB1WNT3A
SCHEMBL3896447 0.78 ERCC5 (0.46) LOXL2ALDH1A1L3MBTL1KCNQ2LMNA
SCHEMBL13089763 0.78 GABRP (0.62) LOXL2CYP3A4ALDH1A1HPGDHIF1A

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 5 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
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 LOXL2 2849/4885PLOD2 4357/4885PLOD3 4354/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 LOXL2 2849/4885PLOD2 4357/4885PLOD3 4354/4885

“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.