SCHEMBL18179501

SCHEMBL18179501

Cc1cc(-c2ccnc(Cl)n2)ccc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 8/20 0.42
AAK1 Q2M2I8 4/20 0.39
LMNA P02545 1/20 0.37
PIK3CG P48736 3/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK8 P45983 1/20 0.33
GSK3B P49841 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33

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
SCHEMBL20022604 0.82 KMO (0.53) KMOAAK1KDM4EALDH1A1MAPT
SCHEMBL16793998 0.82 KMO (0.46) KMOAAK1MAPT
SCHEMBL8514004 0.80 KMO (0.53) KMOAAK1PIK3CGPIK3CAPIK3CB
SCHEMBL25170641 0.78 KMO (0.43) KMOAAK1LMNAPIK3CGKDM4E
SCHEMBL27688633 0.78 KMO (0.43) KMOAAK1LMNAPIK3CGKDM4E
SCHEMBL16794192 0.77 KMO (0.42) KMOAAK1
SCHEMBL21508293 0.77 AAK1 (0.42) KMOAAK1
SCHEMBL17744653 0.76 KMO (0.51) KMOAAK1LMNAPIK3CGPIK3CA
SCHEMBL18179480 0.76 KMO (0.45) KMOAAK1KDM4EALDH1A1POLB
SCHEMBL16794080 0.76 KMO (0.42) KMOAAK1PIK3CGKDM4EALDH1A1

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 KMO 1672/4885AAK1 455/4885LMNA 2791/4885
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN KMO 1672/4885AAK1 455/4885LMNA 2791/4885

“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.