SCHEMBL18179518

SCHEMBL18179518

Cc1cc(Br)ccc1CNC(=O)N1CCC(C(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.53
▸ EPHX2 P34913 11/20 0.46
▸ MEN1 O00255 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ P2RX7 Q99572 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2J2 P51589 1/20 0.36

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
SCHEMBL16793983 0.86 BTK (0.49) BTKEPHX2P2RX7
SCHEMBL16793935 0.80 BTK (0.47) BTKEPHX2P2RX7CYP2C9CYP2J2
SCHEMBL16814190 0.77 BTK (0.69) BTKEPHX2CYP2C9CYP2J2
SCHEMBL16793564 0.75 BTK (0.53) BTKEPHX2P2RX7CYP2C9CYP2J2
SCHEMBL10204025 0.72 SETDB1 (0.43) EPHX2MEN1KMT2AP2RX7CYP2C9
SCHEMBL20840178 0.71 NPC1 (0.48) EPHX2MEN1KMT2AP2RX7CYP2C9
SCHEMBL540605 0.70 SETDB1 (0.57) EPHX2MEN1KMT2AP2RX7
SCHEMBL16794448 0.69 BTK (0.56) BTKKMT2ASMN1; SMN2L3MBTL1
SCHEMBL20461159 0.69 BTK (0.56) BTKKMT2ASMN1; SMN2L3MBTL1
SCHEMBL16793700 0.69 AAK1 (0.49) EPHX2SMN1; SMN2

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-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2018-04-05 — — US disclosed
US-9809577-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2017-11-07 — — US disclosed
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2016-10-27 — — 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-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN BTK 2/4885EPHX2 1900/4885MEN1 4232/4885
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN BTK 2/4885EPHX2 1900/4885MEN1 4232/4885

“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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