SCHEMBL3403359

SCHEMBL3403359

O=C(NCc1ccc2cc[nH]c2c1)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.65
JAK2 O60674 1/20 0.52
MAP4K4 O95819 1/20 0.52
CHEK2 O96017 1/20 0.52
PRKCG P05129 1/20 0.52
CDK1 P06493 1/20 0.52
FES P07332 1/20 0.52
RET P07949 1/20 0.52
ROS1 P08922 1/20 0.52
FER P16591 1/20 0.52
FLT1 P17948 1/20 0.52
AXL P30530 1/20 0.52
FLT4 P35916 1/20 0.52
KDR P35968 1/20 0.52
FLT3 P36888 1/20 0.52
MAPK9 P45984 1/20 0.52
IRAK1 P51617 1/20 0.52
LIMK1 P53667 1/20 0.52
MAP4K2 Q12851 1/20 0.52
ROCK1 Q13464 1/20 0.52

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
SCHEMBL3427971 0.92 HPGDS (0.65) HPGDSJAK2MAP4K4CHEK2PRKCG
SCHEMBL3427153 0.85 NR1H4 (0.59) JAK2MAP4K4CHEK2PRKCGCDK1
SCHEMBL3404727 0.82 OPRM1 (0.50) JAK2MAP4K4CHEK2PRKCGCDK1
SCHEMBL3425866 0.82 METTL3 (0.58) HPGDSJAK2MAP4K4CHEK2PRKCG
SCHEMBL16495657 0.80 HPGDS (1.00) HPGDSMAP4K4PRKCGROCK1PKN2
SCHEMBL3424294 0.80 METTL3 (0.56) JAK2MAP4K4CHEK2PRKCGCDK1
SCHEMBL3400881 0.80 HPGDS (0.51) HPGDSMETTL3METTL14NAMPTNLRP3
SCHEMBL3428496 0.80 CHRNA7 (0.52) METTL3METTL14NAMPTNLRP3EPHX2
SCHEMBL1111666 0.79 HPGDS (0.59) HPGDSBAZ2BTRPV1L3MBTL1EPHX2
SCHEMBL16495831 0.79 HPGDS (0.73) HPGDSBAZ2BL3MBTL1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250162-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-17 EP claimed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US claimed
WO-2009100294-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-08-13 WO claimed
EP-2250162-B1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-19 EP disclosed
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US disclosed
EP-2250162-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-17 EP disclosed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US disclosed
WO-2009100294-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-08-13 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 (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-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA2, CHRNA4, CHRNA5 HPGDS 2692/4885JAK2 4660/4885MAP4K4 1033/4885

“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.