SCHEMBL14845833

SCHEMBL14845833

CCNS(=O)(=O)c1cc(Br)cc(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
GLA P06280 1/20 0.40
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
VCAM1 P19320 1/20 0.36
NMT1 P30419 3/20 0.33
GPR35 Q9HC97 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.31
GLP1R P43220 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL12959734 0.88 L3MBTL1 (0.40) SMN1; SMN2ALDH1A1GAAKMT2ACA1
SCHEMBL7945305 0.83 KMT2A (0.32) GAANMT1KMT2ACA1CA2
SCHEMBL14620825 0.81 CA12 (0.36) GAAVCAM1NMT1KMT2ACA1
SCHEMBL16733852 0.73 NMT1 (0.49) SMN1; SMN2GLAALDH1A1GAAKDM4E
SCHEMBL11686540 0.70 ALDH1A1 (0.52) SMN1; SMN2GLAALDH1A1GAAVCAM1
SCHEMBL10259151 0.66 GAA (0.40) SMN1; SMN2ALDH1A1GAAKDM4EKMT2A
SCHEMBL907769 0.65
SCHEMBL24269968 0.65 ALDH1A1 (0.55) SMN1; SMN2GLAALDH1A1GAAKDM4E
SCHEMBL29697305 0.64 NOS3 (0.36) SMN1; SMN2KDM4EGPR35CYP2C9KMT2A
SCHEMBL3346180 0.63 SMN1; SMN2 (0.59) SMN1; SMN2GLAALDH1A1KDM4EVCAM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8415469-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-04-09 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-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 SMN1; SMN2 1839/4885GLA 2568/4885ALDH1A1 4348/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 SMN1; SMN2 1839/4885GLA 2568/4885ALDH1A1 4348/4885

“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.