SCHEMBL1591330

SCHEMBL1591330

Nc1nc(Nc2ccc(N3CCOCC3)cc2)c2nc(C3CCC(N)CC3)n(-c3ccccc3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.47
MAPT P10636 4/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AKT1 P31749 2/20 0.41
KDM1A O60341 1/20 0.41
IGF1R P08069 1/20 0.41
MERTK Q12866 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
YES1 P07947 1/20 0.40
KDR P35968 1/20 0.40
PDGFRA P16234 1/20 0.40
SCTR P47872 1/20 0.39
SMO Q99835 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PLK4 O00444 1/20 0.38

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 0.78 FLT3 (0.38) FLT3MAPTMAPK1ABL1PLK4
SCHEMBL1591003 0.75 FLT3 (0.38) FLT3MAPTAKT1IGF1RABL1
SCHEMBL4392941 0.72 FLT3 (0.47) FLT3MAPTMAPK1KDM4EMEN1
SCHEMBL13444871 0.70 FLT3 (0.73) FLT3PDGFRA
SCHEMBL27971388 0.69 FLT3 (0.59) FLT3AKT1IGF1RPDGFRAPLK4
SCHEMBL5193682 0.64 FLT3 (1.00) FLT3PDGFRA
SCHEMBL5193689 0.64 FLT3 (1.00) FLT3PDGFRA
Hydrochloric Acid SCHEMBL5195535 0.64 FLT3 (0.98) FLT3PDGFRA
Hydrochloric Acid SCHEMBL5195542 0.64 FLT3 (0.98) FLT3PDGFRA
SCHEMBL3026341 0.64 FLT3 (0.40) FLT3MAPTMAPK1KDM1AIGF1R

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 3 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 disclosed
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 (3 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 FLT3 5/4885MAPT 2818/4885MAPK1 377/4885
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES ADK, PNP, DCK FLT3 317/4885MAPT 1833/4885MAPK1 82/4885
US-20110092491-A1 Compounds and Compositions as Inhibitors of Receptor Tyrosine Kinase Activity BMX, LCK, FYN FLT3 5/4885MAPT 2818/4885MAPK1 377/4885

“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.