SCHEMBL3589066

SCHEMBL3589066

CN1CCC(N(C)c2nc(Nc3ccc(N4CCOCC4)cc3)c3ncn(-c4ccsc4)c3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.41
BTK Q06187 4/20 0.41
CSNK1D P48730 4/20 0.41
CSNK1E P49674 4/20 0.41
NR2F2 P24468 1/20 0.41
FLT3 P36888 5/20 0.40
BCR P11274 1/20 0.39
SCTR P47872 1/20 0.37
SMO Q99835 1/20 0.37
EGFR P00533 3/20 0.37
MAPK14 Q16539 1/20 0.37
PDGFRA P16234 1/20 0.36

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
SCHEMBL3596341 0.89 CSNK1D (0.40) ABL1BTKCSNK1DCSNK1EFLT3
SCHEMBL3596346 0.80 NR2F2 (0.44) ABL1BTKCSNK1DCSNK1ENR2F2
SCHEMBL6015418 0.75 FLT3 (0.37) ABL1BTKCSNK1DCSNK1EFLT3
SCHEMBL4444408 0.74 AXL (0.36) BTKEGFR
SCHEMBL1590653 0.74 LMNA (0.40) BTKFLT3EGFRMAPK14
SCHEMBL3597039 0.72 SYK (0.34) FLT3
SCHEMBL1590990 0.70 FLT3 (0.38) ABL1BTKFLT3
SCHEMBL3600458 0.69 FLT3 (0.49) ABL1BTKFLT3EGFR
SCHEMBL4438500 0.68 CSNK1D (0.44) ABL1CSNK1DCSNK1ENR2F2FLT3
SCHEMBL10155224 0.68 BTK (0.46) ABL1BTKCSNK1DCSNK1EEGFR

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-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
EP-2124954-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2009-12-02 EP disclosed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 WO disclosed
EP-1656378-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF RECEPTOR TYROSINE KINASE ACTIVITY IRM LLC (BM) 2006-05-17 EP disclosed
US-20050124637-A1 Compounds and compositions as inhibitors of receptor tyrosine kinase activity IRM LLC (BM) 2005-06-09 US disclosed
WO-2005016528-A2 6-SUBSTITUTED ANILINO PURINES AS RTK INHIBITORS IRM LLC (BM) 2005-02-24 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-20050124637-A1 Compounds and compositions as inhibitors of receptor tyrosine kinase activity BMX, LCK, FYN ABL1 13/4885BTK 4/4885CSNK1D 812/4885
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES ADK, PNP, DCK ABL1 149/4885BTK 381/4885CSNK1D 1542/4885

“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.