SCHEMBL3523202

SCHEMBL3523202

Fc1ccc(-c2cn3ccnc(Cl)c3n2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
F2RL3 Q96RI0 1/20 0.38
TGFBR1 P36897 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
ALDH1A3 P47895 1/20 0.36
TP53 P04637 2/20 0.36
MDM2 Q00987 1/20 0.36
GRM5 P41594 4/20 0.35
FEN1 P39748 2/20 0.35
ALOX5AP P20292 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3242198 0.84 MAPK9 (0.42) KMOADORA2AADORA1F2RL3TGFBR1
SCHEMBL3724533 0.81 MAP4K4 (0.46) KMOADORA2AADORA1F2RL3TGFBR1
SCHEMBL3520105 0.80 RAB9A (0.55) ALDH1A3TP53NPC1RAB9ANFKB1
SCHEMBL13368329 0.80 KMO (0.51) KMOADORA2AADORA1F2RL3PDE3B
SCHEMBL3525962 0.77 PRKD3 (0.48) KMOADORA2AADORA1F2RL3TGFBR1
SCHEMBL3528770 0.76 ALPL (0.47) KMOF2RL3PDE3BPDE3AALDH1A3
SCHEMBL1691333 0.73 RAB9A (0.54) F2RL3ALDH1A3NPC1RAB9AKDM4E
SCHEMBL3527167 0.72 PDE3B (0.49) KMOADORA2AADORA1F2RL3TGFBR1
SCHEMBL1691855 0.72 FFAR1 (0.42) ADORA2AADORA1F2RL3TP53MDM2
SCHEMBL13764320 0.72 RAB9A (0.59) ALDH1A3TP53NPC1RAB9ANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
EP-2139329-A1 NOVEL IMIDAZO BASED HETEROCYCLES Abbott Laboratories (US) 2010-01-06 EP disclosed
US-20080249305-A1 Novel imidazole based heterocycles ABBOTT LABORATORIES 2008-10-09 US disclosed
US-20080249305-A1 Novel imidazole based heterocycles ABBOTT LABORATORIES 2008-10-09 US disclosed
US-20080249305-A1 Novel imidazole based heterocycles ABBOTT LABORATORIES 2008-10-09 US disclosed
US-20080242862-A1 Novel imidazo based heterocycles ABBOTT LABORATORIES 2008-10-02 US disclosed
US-20080242862-A1 Novel imidazo based heterocycles ABBOTT LABORATORIES 2008-10-02 US disclosed
US-20080242862-A1 Novel imidazo based heterocycles ABBOTT LABORATORIES 2008-10-02 US disclosed
WO-2008118485-A1 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2008-10-02 WO disclosed
WO-2008118485-A1 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2008-10-02 WO disclosed
EP-1928237-A2 NOVEL IMIDAZO BASED HETEROCYCLES Abbott Laboratories (US) 2008-06-11 EP disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
WO-2007028051-A2 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2007-03-08 WO disclosed
WO-2007028051-A2 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2007-03-08 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 (3 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-20070099925-A1 Novel imidazo based heterocycles CDK4, CDK2, MAP3K19 KMO 1525/4885ADORA2A 4115/4885ADORA1 4354/4885
US-20080242862-A1 Novel imidazo based heterocycles CDK4, CDK2, MAP3K15 KMO 1869/4885ADORA2A 3822/4885ADORA1 4497/4885
US-20080249305-A1 Novel imidazole based heterocycles MAP3K5, MAP3K15, MAP3K20 KMO 1612/4885ADORA2A 3529/4885ADORA1 4213/4885

“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.