SCHEMBL4553755

SCHEMBL4553755

Oc1ncnc2scc(-c3ccccc3)c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.67
MAP4K4 O95819 2/20 0.67
ABL1 P00519 2/20 0.67
NTRK1 P04629 2/20 0.67
LCK P06239 2/20 0.67
CSF1R P07333 2/20 0.67
RET P07949 2/20 0.67
MET P08581 2/20 0.67
FLT1 P17948 2/20 0.67
KDR P35968 2/20 0.67
CSNK1A1 P48729 2/20 0.67
CLK2 P49760 2/20 0.67
GSK3B P49841 2/20 0.67
RPS6KA3 P51812 2/20 0.67
MAP4K2 Q12851 2/20 0.67
ROCK1 Q13464 2/20 0.67
DYRK1A Q13627 2/20 0.67
NTRK3 Q16288 2/20 0.67
NTRK2 Q16620 2/20 0.67
TAOK1 Q7L7X3 2/20 0.67

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
SCHEMBL3172318 0.87 SMN1; SMN2 (0.50) FGFR1MAP4K4ABL1NTRK1LCK
SCHEMBL3163264 0.84 FGFR1 (0.49) FGFR1MAP4K4ABL1NTRK1LCK
SCHEMBL6661733 0.84 NPSR1 (0.57) FGFR1LMNAHTTSMN1; SMN2CSNK2A2
SCHEMBL6663303 0.84 SMN1; SMN2 (0.68) FGFR1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL6663533 0.84 SMN1; SMN2 (0.68) FGFR1MAP4K4ABL1NTRK1LCK
SCHEMBL16801668 0.80 FGFR1 (0.67) FGFR1MAP4K4ABL1NTRK1LCK
SCHEMBL14013968 0.80 FGFR1 (1.00) FGFR1MAP4K4ABL1NTRK1LCK
SCHEMBL2368374 0.80 SMN1; SMN2 (0.77) FGFR1MAP4K4ABL1NTRK1LCK
SCHEMBL2369475 0.80 FGFR1 (0.67) FGFR1MAP4K4ABL1NTRK1LCK
SCHEMBL14669286 0.80 FGFR1 (0.61) FGFR1MAP4K4ABL1NTRK1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207174-B2 Beta-3 adrenergic receptor agonists; urinary tract infections, incontinence, gastrointestinal disorders, dysmenorrhea, obesity; tocolytic, anxiolytic, antidiabetic agents; antidepressants; 4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol 4SC AG (DE) 2012-06-26 US disclosed
EP-2118086-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEREOF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS 4SC AG (DE) 2009-11-18 EP disclosed
US-20080249114-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEROF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS SCHWARZ PHARMA AG (DE) 2008-10-09 US disclosed
WO-2008090140-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEREOF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS 4SC AG (DE) 2008-07-31 WO disclosed
EP-1947103-A1 Aryloxypropanolamines, methods of preparation thereof and use of aryloxypropanolamines as medicaments 4SC AG (DE) 2008-07-23 EP disclosed
US-20040138238-A1 Substituted aminopyrimidine compounds as neurokinin antagonists PREDIX PHARMACEUTICALS HOLDINGS, INC. 2004-07-15 US disclosed
WO-2004014850-A2 SUBSTITUTED AMINOPYRIMIDINES AS NEUROKININ ANTAGONISTS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-02-19 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-20080249114-A1 ARYLOXYPROPANOLAMINES, METHODS OF PREPARATION THEROF AND USE OF ARYLOXYPROPANOLAMINES AS MEDICAMENTS ADRB3, ADRB1, ADRB2 FGFR1 2950/4885MAP4K4 2383/4885ABL1 844/4885
US-20040138238-A1 Substituted aminopyrimidine compounds as neurokinin antagonists TACR1, GRPR, BDKRB1 FGFR1 792/4885MAP4K4 337/4885ABL1 1515/4885

“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.