SCHEMBL18563162

SCHEMBL18563162

CS(=O)(=O)N1CC[C@H](Oc2nc(Cl)ncc2F)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.41
PROKR1 Q8TCW9 5/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
PIK3CD O00329 2/20 0.38
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
EGFR P00533 4/20 0.36
ITK Q08881 2/20 0.36
TDO2 P48775 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL17196745 1.00 FPR2 (0.41) FPR2PROKR1ABL1BCRPIK3CD
SCHEMBL17196808 0.93 IDO1 (0.42) FPR2PROKR1ABL1BCREGFR
SCHEMBL18563161 0.88 ABL1 (0.41) FPR2PROKR1ABL1BCRPIK3CD
SCHEMBL17196958 0.88 ABL1 (0.41) FPR2PROKR1ABL1BCRPIK3CD
SCHEMBL17196888 0.81 JAK2 (0.41) ABL1BCRCCNB2CCNE2CDK1
SCHEMBL17196805 0.81 JAK2 (0.41) ABL1BCRCCNB2CCNE2CDK1
SCHEMBL17196758 0.80 ABL1 (0.46) FPR2PROKR1ABL1BCRCCNB2
SCHEMBL17196744 0.79 EGFR (0.44) PIK3CDEGFRITKBTK
SCHEMBL17196747 0.79 EGFR (0.44) PIK3CDEGFRITKBTK
SCHEMBL18657423 0.79 EGFR (0.44) PIK3CDEGFRITKBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3144292-B1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (US) 2020-08-26 EP disclosed
US-9879008-B2 2,3,4,6-tetra-substituted benzene-1,5-diamine derivatives, preparation method therefor and medicinal use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2018-01-30 US disclosed
US-9879008-B2 2,3,4,6-tetra-substituted benzene-1,5-diamine derivatives, preparation method therefor and medicinal use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2018-01-30 US disclosed
EP-3144292-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD (US) 2017-03-22 EP disclosed
US-20170057957-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-03-02 US disclosed
US-20170057957-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-03-02 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-20170057957-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF CYP4F11, CYP2D6, CYP4B1 FPR2 2618/4885PROKR1 1243/4885ABL1 1205/4885

“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.