SCHEMBL6433908

SCHEMBL6433908

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CN(C(=O)CNCC(O)CO)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.64
FLT3 P36888 2/20 0.60
KIT P10721 1/20 0.60
EGFR P00533 3/20 0.58
TEC P42680 3/20 0.58
BMX P51813 3/20 0.58
LYN P07948 3/20 0.58
TXK P42681 2/20 0.58
FGFR2 P21802 2/20 0.58
ITK Q08881 2/20 0.58
LCK P06239 2/20 0.58
RIPK2 O43353 1/20 0.58
NR1I2 O75469 1/20 0.58
SLC22A3 O75751 1/20 0.58
LATS1 O95835 1/20 0.58
NUDT14 O95848 1/20 0.58
ABL1 P00519 1/20 0.58
ERBB2 P04626 1/20 0.58
FYN P06241 1/20 0.58
PGR P06401 1/20 0.58

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
SCHEMBL6431323 0.90 BTK (0.67) BTKFLT3KITEGFRTEC
SCHEMBL6432923 0.88 BTK (0.65) BTKFLT3KITEGFRTEC
SCHEMBL6435050 0.86 BTK (0.65) BTKFLT3KITEGFRTEC
Acetic Acid SCHEMBL6430809 0.85 BTK (0.67) BTKFLT3KITEGFRTEC
SCHEMBL7050387 0.85 BTK (0.54) BTKFLT3KITEGFRTEC
SCHEMBL5816014 0.84 BTK (0.66) BTKFLT3KITEGFRTEC
SCHEMBL6434970 0.84 BTK (0.66) BTKFLT3KITEGFRTEC
Acetic Acid SCHEMBL6430451 0.84 BTK (0.66) BTKFLT3KITEGFRITK
SCHEMBL7047208 0.84 BTK (0.60) BTKFLT3KITEGFRTEC
SCHEMBL6434459 0.83 BTK (0.66) BTKEGFRLYNLCKNUDT14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 US disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN BTK 42/4885FLT3 335/4885KIT 330/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 BTK 1020/4885FLT3 67/4885KIT 445/4885

“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.