SCHEMBL3596346

SCHEMBL3596346

CN(Cc1ccccn1)c1nc(Nc2ccc(N3CCOCC3)cc2)c2ncn(-c3ccsc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2F2 P24468 1/20 0.44
CSNK1D P48730 5/20 0.43
CSNK1E P49674 3/20 0.41
FYN P06241 1/20 0.40
SCTR P47872 2/20 0.38
SMO Q99835 1/20 0.38
FLT3 P36888 3/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
PDGFRA P16234 1/20 0.37
ABL1 P00519 2/20 0.37
BTK Q06187 1/20 0.37
KDR P35968 2/20 0.37
NTRK1 P04629 1/20 0.37
YES1 P07947 1/20 0.37
MAPKAPK5 Q8IW41 2/20 0.36
KIT P10721 1/20 0.36
PTK2 Q05397 1/20 0.36
IGF1R P08069 1/20 0.35

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
SCHEMBL4438464 0.85 JAK2 (0.34) NR2F2ABL1PTK2
SCHEMBL3589066 0.80 ABL1 (0.41) NR2F2CSNK1DCSNK1ESCTRSMO
SCHEMBL4436776 0.73 JAK2 (0.35) ABL1PTK2
SCHEMBL1591527 0.72 JAK2 (0.37) ABL1PTK2
SCHEMBL3584532 0.70 JAK2 (0.45) CSNK1DPTK2
SCHEMBL3596341 0.69 CSNK1D (0.40) CSNK1DCSNK1ESCTRSMOFLT3
SCHEMBL4438500 0.67 CSNK1D (0.44) NR2F2CSNK1DCSNK1EFLT3PDGFRA
SCHEMBL1590830 0.67 ABL1 (0.48) NR2F2CSNK1DCSNK1EFLT3PDGFRA
SCHEMBL1590654 0.65 ABL1 (0.48) NR2F2CSNK1DCSNK1EFLT3PDGFRA
SCHEMBL27799100 0.65 NR2F2 (0.42) NR2F2CSNK1DCSNK1EFLT3PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 US claimed
US-20050124637-A1 Compounds and compositions as inhibitors of receptor tyrosine kinase activity IRM LLC (BM) 2005-06-09 US claimed
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 US disclosed
US-20050124637-A1 Compounds and compositions as inhibitors of receptor tyrosine kinase activity IRM LLC (BM) 2005-06-09 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 (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-20050124637-A1 Compounds and compositions as inhibitors of receptor tyrosine kinase activity BMX, LCK, FYN NR2F2 572/4885CSNK1D 812/4885CSNK1E 500/4885
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES ADK, PNP, DCK NR2F2 4642/4885CSNK1D 1542/4885CSNK1E 1264/4885

“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.