SCHEMBL4101922

SCHEMBL4101922

O=C(Cc1ccnc(F)c1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 7/20 0.49
WNT3A P56704 4/20 0.49
LOXL2 Q9Y4K0 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
LMNA P02545 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNQ2 O43526 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
KCNH2 Q12809 1/20 0.43
GRM4 Q14833 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B14 Q9BPX1 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
SCHEMBL5233280 0.82 RECQL (0.49) CTNNB1WNT3ALOXL2CES2CES1
SCHEMBL5789056 0.82 GRM4 (0.49) CTNNB1WNT3ACES2CES1LMNA
SCHEMBL29528189 0.82 GRM4 (0.49) CTNNB1WNT3ACES2CES1LMNA
SCHEMBL4313456 0.81 LOXL2 (0.47) CTNNB1WNT3ALOXL2CES1L3MBTL1
SCHEMBL6182297 0.81 TGFBR1 (0.44) CTNNB1WNT3ALOXL2CES1L3MBTL1
SCHEMBL38664275 0.80 RAB9A (0.54) CTNNB1WNT3ACES2CES1LMNA
SCHEMBL4870832 0.80 RAB9A (0.54) CTNNB1WNT3ACES2CES1LMNA
SCHEMBL6181106 0.79 WNT3A (0.48) CTNNB1WNT3ALOXL2CES2CES1
SCHEMBL5228758 0.79 CES2 (0.52) CTNNB1WNT3ACES2CES1LMNA
SCHEMBL1515752 0.79 LMNA (0.59) CTNNB1WNT3ACES2CES1LMNA

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 CTNNB1 4283/4885WNT3A 4484/4885LOXL2 2849/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 CTNNB1 4283/4885WNT3A 4484/4885LOXL2 2849/4885

“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.