SCHEMBL16010171

SCHEMBL16010171

Cc1nc2ccc(NC3CCC(O)CC3)nn2c1-c1cc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.47
PIM1 P11309 12/20 0.45
KCNH2 Q12809 4/20 0.45
FLT3 P36888 2/20 0.43
JAK2 O60674 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
JAK3 P52333 1/20 0.43
PRKCQ Q04759 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
ITK Q08881 2/20 0.38
NTRK1 P04629 1/20 0.37
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37
PFKFB3 Q16875 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37

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
SCHEMBL16023611 1.00 MKNK1 (0.47) MKNK1PIM1KCNH2FLT3JAK2
SCHEMBL16009425 0.82 MKNK1 (0.63) MKNK1PIM1KCNH2PIK3CDPIK3R1
SCHEMBL2947958 0.82 MKNK1 (0.63) MKNK1PIM1KCNH2PIK3CDPIK3R1
SCHEMBL16010329 0.78 MKNK1 (0.58) MKNK1PIM1KCNH2PIK3CDPIK3R1
SCHEMBL16010331 0.78 MKNK1 (0.58) MKNK1PIM1KCNH2PIK3CDPIK3R1
SCHEMBL16010500 0.76 PIK3CD (0.43) KCNH2PFKFB3PIK3CDPIK3R1
SCHEMBL16016850 0.75 PIK3CD (0.47) MKNK1PFKFB3PIK3CDPIK3R1
SCHEMBL16010499 0.74 PIM1 (0.39) MKNK1PIM1KCNH2FLT3NTRK1
SCHEMBL16009446 0.74 PIK3CD (0.46) PIM1CDK2GSK3BJAK3PIK3CD
SCHEMBL17849301 0.74 PIM1 (0.56) MKNK1PIM1KCNH2

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 5 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-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
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 49/4885PIM1 363/4885KCNH2 2562/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 MKNK1 49/4885PIM1 363/4885KCNH2 2562/4885

“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.