SCHEMBL16075643

SCHEMBL16075643

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCN(CC(=O)c2ccccc2)C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.74
EGFR P00533 4/20 0.69
ITK Q08881 3/20 0.69
LCK P06239 3/20 0.69
TEC P42680 3/20 0.69
BMX P51813 3/20 0.69
LYN P07948 3/20 0.69
TXK P42681 2/20 0.69
FGFR2 P21802 2/20 0.69
FLT3 P36888 2/20 0.69
BLK P51451 2/20 0.69
RIPK2 O43353 1/20 0.69
NR1I2 O75469 1/20 0.69
SLC22A3 O75751 1/20 0.69
LATS1 O95835 1/20 0.69
NUDT14 O95848 1/20 0.69
ABL1 P00519 1/20 0.69
ERBB2 P04626 1/20 0.69
FYN P06241 1/20 0.69
PGR P06401 1/20 0.69

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
SCHEMBL28409697 0.93 BTK (0.78) BTKEGFRITKLCKTEC
SCHEMBL28409758 0.93 BTK (0.78) BTKEGFRITKLCKTEC
SCHEMBL28409686 0.93 BTK (0.78) BTKEGFRITKLCKTEC
SCHEMBL30615731 0.91 BTK (0.78) BTKEGFRITKLCKTEC
SCHEMBL19638837 0.91 BTK (0.78) BTKEGFRITKLCKTEC
SCHEMBL28685158 0.91 BTK (0.75) BTKEGFRITKLCKTEC
SCHEMBL19638836 0.91 BTK (0.78) BTKEGFRITKLCKTEC
SCHEMBL28409359 0.90 BTK (0.73) BTKEGFRITKLCKTEC
SCHEMBL28409287 0.90 BTK (0.73) BTKEGFRITKLCKTEC
SCHEMBL28409293 0.90 BTK (0.73) BTKEGFRITKLCKTEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156847-B2 Processes and intermediates for preparing a medicament JANSSEN PHARMACEUTICA NV (BE) 2015-10-13 US disclosed
US-20140275126-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 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 (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-20140275126-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT BTK, SYK, JAK2 BTK 1/4885EGFR 881/4885ITK 226/4885

“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.