SCHEMBL18296158

SCHEMBL18296158

NC(=O)c1ncc(N[C@H]2CCCNC2)nc1Nc1ccc(-c2ncccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.49
▸ SYK P43405 5/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ KCNH2 Q12809 3/20 0.47
▸ MAPK3 P27361 2/20 0.47
▸ AURKB Q96GD4 2/20 0.47
▸ CHEK1 O14757 8/20 0.47
▸ MAPKAPK2 P49137 4/20 0.45
▸ PRKD2 Q9BZL6 3/20 0.45
▸ JAK2 O60674 3/20 0.45
▸ TYK2 P29597 3/20 0.45
▸ JAK3 P52333 3/20 0.45
▸ CDC7 O00311 1/20 0.45
▸ PLK4 O00444 1/20 0.45
▸ PDPK1 O15530 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ DYRK3 O43781 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ RPS6KA5 O75582 1/20 0.45
▸ PRKD3 O94806 1/20 0.45

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
Hydrochloric Acid SCHEMBL18283580 0.99 BTK (0.49) BTKSYKMAPK1KCNH2MAPK3
SCHEMBL14956030 0.85 CHEK1 (0.54) BTKSYKMAPK1KCNH2MAPK3
SCHEMBL14956031 0.85 CHEK1 (0.54) BTKSYKMAPK1KCNH2MAPK3
SCHEMBL14955662 0.85 SYK (0.51) BTKSYKMAPK1KCNH2MAPK3
SCHEMBL14955659 0.85 SYK (0.51) BTKSYKMAPK1KCNH2MAPK3
SCHEMBL14955848 0.83 CHEK1 (0.53) BTKSYKMAPK1KCNH2MAPK3
SCHEMBL14955850 0.83 CHEK1 (0.53) BTKSYKMAPK1KCNH2MAPK3
SCHEMBL14955888 0.81 SYK (0.52) BTKSYKMAPK1KCNH2MAPK3
SCHEMBL14955891 0.81 SYK (0.52) BTKSYKMAPK1KCNH2MAPK3
SCHEMBL18283652 0.79 EGFR (0.52) BTKSYKJAK3LCKITK

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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 — — US disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 — — 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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK BTK 1/4885SYK 4/4885MAPK1 626/4885

“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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