SCHEMBL3236147

SCHEMBL3236147

Oc1c(Br)cc(-c2cnc(OCCc3ccc(Cl)c(Cl)c3)nn2)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
IGF1R P08069 1/20 0.35
ALOX15 P16050 1/20 0.35
PNMT P11086 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PTPN1 P18031 1/20 0.32
KCNH2 Q12809 1/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NR1I3 Q14994 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PREP P48147 1/20 0.31
PYGL P06737 1/20 0.31
USP7 Q93009 1/20 0.30
DYRK1A Q13627 2/20 0.30
CLK4 Q9HAZ1 2/20 0.30
CLK1 P49759 1/20 0.30
CLK2 P49760 1/20 0.30

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
SCHEMBL3240373 0.88 PTPN1 (0.35) IGF1RALOX15PTPN1
SCHEMBL3242675 0.86 PTPN1 (0.36) PTPN1MAPK1
SCHEMBL3246841 0.84 PTPN1 (0.37) IGF1RALOX15PTPN1MAPK1
SCHEMBL3245822 0.83 CRHBP (0.40) PTPN1
SCHEMBL3244047 0.83 CRHBP (0.34) TAAR1KMT2ANPSR1
SCHEMBL3243300 0.83 IGF1R (0.36) IGF1RALOX15PTPN1KCNH2SIGMAR1
SCHEMBL3245714 0.82 S1PR4 (0.36) TAAR1MAPK1KMT2A
SCHEMBL3244135 0.82 PTPN1 (0.42) IGF1RALOX15PTPN1TSHRKMT2A
SCHEMBL3240650 0.81 MEN1 (0.34) MAPK1KMT2A
SCHEMBL3246120 0.81 PTPN1 (0.38) ALOX15PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131958-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO claimed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US claimed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
WO-2009131958-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US 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-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives CFTR, PKD1, PKD2 FFAR1 852/4885IGF1R 2805/4885ALOX15 1405/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 FFAR1 1350/4885IGF1R 1166/4885ALOX15 1727/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 FFAR1 1350/4885IGF1R 1166/4885ALOX15 1727/4885

“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.