SCHEMBL1591003

SCHEMBL1591003

CN1CCC(c2nc3c(Nc4ccc(N5CCOCC5)cc4)nc(N)nc3n2-c2cscn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.38
PLK4 O00444 2/20 0.35
SYK P43405 3/20 0.35
ABL1 P00519 3/20 0.35
BTK Q06187 2/20 0.35
IGF1R P08069 1/20 0.35
MAPKAPK5 Q8IW41 2/20 0.35
SCTR P47872 1/20 0.35
SMO Q99835 1/20 0.35
TTBK1 Q5TCY1 1/20 0.35
TTBK2 Q6IQ55 1/20 0.35
CDK4 P11802 3/20 0.35
AURKA O14965 2/20 0.35
EML4 Q9HC35 2/20 0.34
ALK Q9UM73 2/20 0.34
CDK1 P06493 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34

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
SCHEMBL1590990 0.87 FLT3 (0.38) FLT3PLK4SYKABL1BTK
SCHEMBL1591330 0.75 FLT3 (0.47) FLT3PLK4ABL1BTKIGF1R
SCHEMBL3591201 0.73 PDE8A (0.35)
SCHEMBL3596341 0.72 CSNK1D (0.40) FLT3ABL1BTKSCTRSMO
SCHEMBL1591791 0.67 CSNK1D (0.48) FLT3ABL1EGFRPDGFRACSNK1D
SCHEMBL3597600 0.67 PIK3R2 (0.34)
SCHEMBL3600458 0.67 FLT3 (0.49) FLT3SYKABL1BTKEML4
SCHEMBL20274536 0.66 ABL1 (0.52) FLT3ABL1BTKALKCDK1
SCHEMBL20274538 0.63 EGFR (0.59) FLT3ABL1BTKCDK1CCNE1
SCHEMBL3589066 0.62 ABL1 (0.41) FLT3ABL1BTKSCTRSMO

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-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity NOVARTIS AG (CH) 2011-04-21 US claimed
US-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity NOVARTIS AG (CH) 2011-04-21 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

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-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity BMX, LCK, FYN FLT3 5/4885PLK4 1071/4885SYK 8/4885

“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.