SCHEMBL2069845

SCHEMBL2069845

Fc1ccc(-c2nc3n(c2-c2ccc(F)cc2)CCNC3)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.60
CSNK1D P48730 5/20 0.49
CSNK1E P49674 5/20 0.49
MAPK13 O15264 2/20 0.45
MAPK12 P53778 2/20 0.45
MAPK11 Q15759 2/20 0.45
MAPK14 Q16539 2/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRIA1 P42261 1/20 0.42
TGFBR2 P37173 2/20 0.41
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
HTR2A P28223 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
SCHEMBL15340400 0.93 TGFBR1 (0.55) TGFBR1CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL25268913 0.93 MAPK14 (0.55) TGFBR1CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL15830769 0.84 TGFBR1 (0.48) TGFBR1CSNK1DCSNK1EWNT1GSK3B
SCHEMBL19495428 0.84 TGFBR1 (0.48) TGFBR1CSNK1DCSNK1EWNT1GSK3B
SCHEMBL29993929 0.82 MAPK14 (0.54) TGFBR1CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL25268542 0.82 MAPK14 (0.54) TGFBR1CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL109562 0.82 P2RX7 (0.47) TGFBR1CSNK1DCSNK1EWNT1GSK3B
SCHEMBL12781420 0.80 TGFBR1 (0.43) TGFBR1CSNK1DCSNK1EHTR2AHTR2C
SCHEMBL1046774 0.80 KCNH2 (0.52) TGFBR1CSNK1DCSNK1ECYP3A4WNT1
SCHEMBL18041590 0.79 TGFBR1 (0.74) TGFBR1TGFBR2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963454-B2 Compounds and compositions for the treatment of parasitic disease NOVARTIS AG (CH) 2018-05-08 US disclosed
US-9963454-B2 Compounds and compositions for the treatment of parasitic disease NOVARTIS AG (CH) 2018-05-08 US disclosed
US-9963454-B2 Compounds and compositions for the treatment of parasitic disease NOVARTIS AG (CH) 2018-05-08 US disclosed
US-9469645-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-10-18 US disclosed
US-9469645-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-10-18 US disclosed
US-9469645-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-10-18 US disclosed
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE NOVARTIS AG (CH) 2016-04-21 US disclosed
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE NOVARTIS AG (CH) 2016-04-21 US disclosed
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE NOVARTIS AG (CH) 2016-04-21 US disclosed
EP-2737927-B1 Imidazo[1,2a]pyrazines and compositions comprising them for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-03-30 EP disclosed
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2013-10-24 US disclosed
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2013-10-24 US disclosed
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2013-10-24 US disclosed
US-8557801-B2 Compounds and compositions useful for the treatment of parasitic diseases IRM LLC (BM) 2013-10-15 US disclosed
US-8557801-B2 Compounds and compositions useful for the treatment of parasitic diseases IRM LLC (BM) 2013-10-15 US disclosed
US-8557801-B2 Compounds and compositions useful for the treatment of parasitic diseases IRM LLC (BM) 2013-10-15 US disclosed
US-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-03-10 US disclosed
US-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-03-10 US disclosed
US-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-03-10 US disclosed
WO-2011006143-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-01-13 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-20110059934-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF PARASITIC DISEASES SQLE, SGMS2, FDPS TGFBR1 4816/4885CSNK1D 4277/4885CSNK1E 4283/4885
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE SQLE, SGMS2, SGMS1 TGFBR1 4770/4885CSNK1D 4199/4885CSNK1E 4332/4885
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES SQLE, ABCB1, FDPS TGFBR1 4754/4885CSNK1D 4417/4885CSNK1E 4429/4885

“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.