SCHEMBL3684615

SCHEMBL3684615

Nc1ncnc2c1c(I)nn2CC1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.56
PRKD3 O94806 3/20 0.56
SRC P12931 3/20 0.56
KDR P35968 3/20 0.56
RET P07949 2/20 0.56
DYRK3 O43781 2/20 0.56
CDK1 P06493 2/20 0.56
ROS1 P08922 2/20 0.56
RPS6KB1 P23443 2/20 0.56
CDK2 P24941 2/20 0.56
CSNK1A1 P48729 2/20 0.56
CSNK1D P48730 2/20 0.56
CLK2 P49760 2/20 0.56
IRAK1 P51617 2/20 0.56
CDK5 Q00535 2/20 0.56
DYRK1A Q13627 2/20 0.56
NTRK3 Q16288 2/20 0.56
SLK Q9H2G2 2/20 0.56
CLK4 Q9HAZ1 2/20 0.56
CDC7 O00311 1/20 0.56

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
SCHEMBL17962825 0.91 RET (0.56) JAK2PRKD3SRCKDRRET
SCHEMBL14617265 0.91 ABL1 (0.64) JAK2PRKD3SRCKDRRET
SCHEMBL17936188 0.90 KCNH2 (0.56) JAK2PRKD3SRCKDRRET
SCHEMBL17936187 0.86 KCNH2 (0.50) JAK2PRKD3SRCKDRRET
SCHEMBL23150464 0.85 JAK3 (0.59) JAK2PRKD3SRCKDRRET
SCHEMBL19500713 0.84 BTK (0.48) JAK2PRKD3SRCKDRRET
SCHEMBL23150425 0.82 JAK2 (0.49) JAK2PRKD3SRCKDRRET
SCHEMBL17267749 0.82 JAK2 (0.78) JAK2JAK3JAK1EGFR
SCHEMBL23150533 0.81 JAK2 (0.54) JAK2PRKD3SRCKDRRET
SCHEMBL15519064 0.80 SRC (0.58) JAK2PRKD3SRCKDRRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US disclosed
EP-2217239-A2 MODULATION OF PROTEIN TRAFFICKING Foldrx Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed
WO-2007126841-A2 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRX PHARMACEUTICALS, INC. (US) 2007-11-08 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 (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-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY SNCA, PARK7, PINK1 JAK2 4265/4885PRKD3 2359/4885SRC 3123/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B JAK2 3744/4885PRKD3 1366/4885SRC 1332/4885

“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.