SCHEMBL16078942

SCHEMBL16078942

CCC(CCCNC(=O)OCc1ccccc1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.53
▸ EGFR P00533 4/20 0.49
▸ LCK P06239 3/20 0.49
▸ ITK Q08881 3/20 0.49
▸ JAK3 P52333 2/20 0.49
▸ SRC P12931 2/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ NUDT14 O95848 1/20 0.48
▸ NUDT5 Q9UKK9 1/20 0.48
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ PRKDC P78527 1/20 0.47
▸ TNK2 Q07912 1/20 0.44

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
SCHEMBL17375372 0.90 BTK (0.53) BTKEGFRLCKITKJAK3
SCHEMBL16078924 0.82 DPP8 (0.41) BTKTNK2
SCHEMBL27586498 0.79 NUDT14 (0.58) BTKEGFRLCKITKJAK3
SCHEMBL17264218 0.75 BTK (0.71) BTKEGFRLCKITKJAK3
SCHEMBL28747962 0.74 NUDT14 (0.61) BTKEGFRLCKITKJAK3
SCHEMBL19176242 0.74 NUDT14 (0.58) BTKEGFRLCKSRCABL1
SCHEMBL17377409 0.73 CTSS (0.43) BTKEGFRSRCTNK2
SCHEMBL25069027 0.72 SRC (0.76) EGFRLCKSRCABL1NUDT14
SCHEMBL1612513 0.72 EGFR (0.50) BTKEGFRLCKITKJAK3
SCHEMBL1682621 0.72 SRC (0.50) BTKEGFRLCKITKJAK3

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-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
WO-2014139970-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 — — 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-20140275126-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT BTK, SYK, JAK2 BTK 1/4885EGFR 881/4885LCK 30/4885

“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.

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