SCHEMBL16610919

SCHEMBL16610919

O=c1[nH]cc(Cl)c2c1c(-c1ccc(N3CCS(=O)(=O)CC3)cc1)nn2-c1c(F)cccc1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
KDM5B Q9UGL1 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
WEE1 P30291 1/20 0.33
PDGFRB P09619 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.32
CCNA2 P20248 4/20 0.32
CDK2 P24941 4/20 0.32
FAAH O00519 1/20 0.32
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
GRIA1 P42261 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
SCHEMBL16610918 0.92 KDM4E (0.33) JAK2JAK3KDM4EALDH1A1HPGD
SCHEMBL16611103 0.89 KDM4E (0.43) KDM4EALDH1A1HPGDPDGFRBCCNA2
Hydrochloric Acid SCHEMBL16611325 0.89 KDM4E (0.43) KDM4EALDH1A1HPGDPDGFRBCCNA2
SCHEMBL16610794 0.88 ALDH1A1 (0.34) KDM4EALDH1A1HPGDPDGFRBCCNA2
SCHEMBL16611193 0.86 PDGFRB (0.42) KDM4EALDH1A1HPGDPDGFRBCCNA2
SCHEMBL16611172 0.83 SCN9A (0.35) KDM4EALDH1A1HPGDKCNJ5KCNJ3
SCHEMBL16611069 0.82 PRKAB2 (0.38) ALDH1A1
SCHEMBL16610759 0.81 SCN9A (0.35) KCNJ5KCNJ3
SCHEMBL16610943 0.80 CYP2A13 (0.42) KDM4EALDH1A1HPGD
SCHEMBL16611220 0.80 PDGFRB (0.41) JAK2KDM4EALDH1A1HPGDPDGFRB

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-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 JAK2 1/4885JAK3 11/4885KDM5B 139/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 JAK2 1/4885JAK3 11/4885KDM5B 139/4885

“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.