SCHEMBL16010651

SCHEMBL16010651

CCCCCc1c(C)nc2ccc(Cl)nn12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
PDE10A Q9Y233 4/20 0.36
KCNH2 Q12809 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CRHR1 P34998 3/20 0.33
DYRK1A Q13627 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 1/20 0.32
DYRK2 Q92630 1/20 0.31
TNF P01375 1/20 0.31
F2 P00734 1/20 0.31

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
SCHEMBL16265181 0.84 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL17283445 0.80 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL15690033 0.80 PDE10A (0.45) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL18875749 0.77 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL4797576 0.74 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16010635 0.74 TNF (0.44) KDM4EALDH1A1SMN1; SMN2DYRK1ADYRK2
SCHEMBL12798307 0.73 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL22591291 0.71 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL20053787 0.71 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL477062 0.70 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2PRMT5WDR77

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
EP-2964230-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2016-01-13 EP disclosed
WO-2014138692-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-12 WO 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 KDM4E 885/4885ALDH1A1 3770/4885SMN1; SMN2 2679/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 KDM4E 885/4885ALDH1A1 3770/4885SMN1; SMN2 2679/4885

“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.