SCHEMBL17196808

SCHEMBL17196808

CS(=O)(=O)N1CCC[C@@H](Oc2nc(Cl)ncc2F)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
JAK2 O60674 3/20 0.40
JAK3 P52333 3/20 0.40
EGFR P00533 4/20 0.39
ITK Q08881 3/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
BTK Q06187 2/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
FPR2 P25090 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.35
CASP6 P55212 1/20 0.34
JAK1 P23458 1/20 0.34

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 0.93 FPR2 (0.41) IDO1JAK2JAK3EGFRITK
SCHEMBL18563162 0.93 FPR2 (0.41) IDO1JAK2JAK3EGFRITK
SCHEMBL17196805 0.88 JAK2 (0.41) IDO1JAK2JAK3ABL1BCR
SCHEMBL17196888 0.88 JAK2 (0.41) IDO1JAK2JAK3ABL1BCR
SCHEMBL18563161 0.81 ABL1 (0.41) JAK2JAK3ABL1BCRFPR2
SCHEMBL17196958 0.81 ABL1 (0.41) JAK2JAK3ABL1BCRFPR2
SCHEMBL17196862 0.79 ABL1 (0.43) JAK2JAK3ABL1BCRFPR2
SCHEMBL19510843 0.77 POLB (0.46) EGFRITKKMT2AFFAR4SMN1; SMN2
SCHEMBL17196803 0.75 ABL1 (0.42) JAK2JAK3ABL1BCRFPR2
SCHEMBL17196744 0.74 EGFR (0.44) EGFRITKBTK

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 7 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
WO-2015158233-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF 上海海雁医药科技有限公司 2015-10-22 WO 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 IDO1 819/4885JAK2 691/4885JAK3 2124/4885

“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.