SCHEMBL16404643

SCHEMBL16404643

CS(=O)(=O)C1C=CC(c2ccnc(Nc3ccc(-n4ccnn4)cc3)n2)=CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.59
MAPK8 P45983 2/20 0.59
JAK2 O60674 11/20 0.40
JAK3 P52333 5/20 0.40
CDK2 P24941 2/20 0.38
AURKA O14965 1/20 0.38
CDK9 P50750 1/20 0.38
AURKB Q96GD4 1/20 0.38
HDAC1 Q13547 3/20 0.38
KCNH2 Q12809 1/20 0.36
IGF1R P08069 1/20 0.36
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35

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
SCHEMBL3754658 0.75 MAPK8 (0.81) MAPK10MAPK8JAK2JAK3CDK2
SCHEMBL3759154 0.73 MAPK10 (0.78) MAPK10MAPK8JAK2JAK3IKBKB
SCHEMBL3756383 0.72 MAPK8 (0.69) MAPK10MAPK8JAK2CDK2AURKA
SCHEMBL3758774 0.69 MAPK10 (0.71) MAPK10MAPK8JAK2JAK3HDAC1
SCHEMBL14045293 0.67 MAPK8 (0.48) MAPK10MAPK8JAK2JAK3CDK2
SCHEMBL3753808 0.67 MAPK10 (0.70) MAPK10MAPK8JAK2JAK3
SCHEMBL13588445 0.67 MAPK8 (0.82) MAPK10MAPK8JAK2JAK3HDAC1
SCHEMBL3755971 0.66 MAPK10 (0.68) MAPK10MAPK8JAK2JAK3
SCHEMBL3753229 0.66 CLK1 (0.69) MAPK10MAPK8JAK2CDK2
SCHEMBL3759150 0.65 MAPK10 (0.65) MAPK10MAPK8JAK2JAK3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP disclosed
US-20150004231-A1 FORMULATIONS AND PHARMACOKINETICS OF DEUTERATED BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 AUSPEX PHARMACEUTICALS LLC 2015-01-01 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 (1 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-20150004231-A1 FORMULATIONS AND PHARMACOKINETICS OF DEUTERATED BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 SLC18A2, SLC6A2, SLC18A1 MAPK10 3557/4885MAPK8 4132/4885JAK2 3319/4885

“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.