SCHEMBL13115655

SCHEMBL13115655

Cc1ccc(-c2ccc3cn[nH]c3c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 11/20 0.71
FGFR2 P21802 5/20 0.69
FGFR3 P22607 2/20 0.69
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
DYRK1A Q13627 4/20 0.53
DYRK3 O43781 2/20 0.53
CLK2 P49760 2/20 0.53
GSK3B P49841 2/20 0.53
CDK5 Q00535 2/20 0.53
CLK4 Q9HAZ1 2/20 0.53
MAPK1 P28482 2/20 0.53
PLK4 O00444 1/20 0.53
CHEK1 O14757 1/20 0.53
PDPK1 O15530 1/20 0.53
JAK2 O60674 1/20 0.53
ROCK2 O75116 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53

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
SCHEMBL16573980 0.85 GSK3B (0.71) FGFR1KDM4EMAPTALDH1A1DYRK1A
SCHEMBL8264120 0.84 FGFR1 (0.70) FGFR1FGFR2FGFR3KDM4EMAPT
SCHEMBL12354 0.84 KDM4E (0.59) FGFR1FGFR2FGFR3KDM4EMAPT
SCHEMBL20060303 0.84 KDM4E (0.59) FGFR1FGFR2FGFR3KDM4EMAPT
SCHEMBL2460902 0.83 FGFR1 (1.00) FGFR1FGFR2FGFR3KDM4EMAPT
SCHEMBL25860940 0.82 KDM1A (0.58) FGFR1FGFR2FGFR3KDM4EMAPT
SCHEMBL14663812 0.81 FGFR1 (1.00) FGFR1FGFR2FGFR3KDM4EMAPT
SCHEMBL27839423 0.81 FGFR1 (0.71) FGFR1FGFR2FGFR3KDM4EMAPT
SCHEMBL27976107 0.81 CLK1 (0.74) FGFR1FGFR2FGFR3KDM4EMAPT
SCHEMBL28104327 0.81 FGFR1 (0.65) FGFR1FGFR2FGFR3KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758398-B1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL]-2-AZABICYCLO [2.2.1]HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
US-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 US disclosed
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 US disclosed
WO-2007115231-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 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-20070275965-A1 CXCR4 modulators CXCL12, CXCR4, CXCR1 FGFR1 852/4885FGFR2 961/4885FGFR3 1258/4885

“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.