SCHEMBL16010240

SCHEMBL16010240

CCCN(C)c1ccc2nc(C(CC)NC)c(-c3cc4ccccc4s3)n2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.35
GRIN2B Q13224 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
ADRB2 P07550 1/20 0.31
CYP2A6 P11509 1/20 0.31
PRKD3 O94806 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCI P41743 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCZ Q05513 1/20 0.31
PRKCD Q05655 1/20 0.31
PRKD1 Q15139 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3R1 P27986 1/20 0.30

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
SCHEMBL16009786 0.83 MKNK1 (0.35) MKNK1GRIN2BSLC6A2SLC6A4PRKD3
SCHEMBL16009176 0.75 MKNK1 (0.50) MKNK1GRIN2BPIK3CDPIK3R1
SCHEMBL16009233 0.74 DYRK3 (0.39)
SCHEMBL16010500 0.61 PIK3CD (0.43) ADRB2CYP2A6PIK3CDPIK3R1
SCHEMBL23932000 0.56 HCAR3 (0.41) MKNK1
SCHEMBL845603 0.54 APP (0.63) ADRB2CYP2A6
SCHEMBL29732980 0.54 APP (0.63) ADRB2CYP2A6
SCHEMBL20751762 0.54 CYP19A1 (0.40) PIK3CD
Dimethylamine SCHEMBL6379625 0.53 CYP2A6 (0.68) ADRB2CYP2A6
Trimethylammonium SCHEMBL11529523 0.53 APP (0.62) GRIN2B

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-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 US disclosed
US-9370515-B2 Mixed lineage kinase inhibitors and method of treatments Califia Bio, Inc. (US) 2016-06-21 US disclosed
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-11 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-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 MKNK1 49/4885GRIN2B 1041/4885SLC6A2 4604/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 MKNK1 49/4885GRIN2B 1041/4885SLC6A2 4604/4885

“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.