SCHEMBL16610918

SCHEMBL16610918

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

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PDGFRB P09619 1/20 0.33
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
CCNA2 P20248 5/20 0.32
CDK2 P24941 5/20 0.32
ROCK1 Q13464 2/20 0.31
NTRK1 P04629 1/20 0.31
JAK2 O60674 1/20 0.30
JAK3 P52333 1/20 0.30
RORC P51449 1/20 0.30
DGAT1 O75907 1/20 0.30
ABL1 P00519 1/20 0.30
MET P08581 1/20 0.30
MST1R Q04912 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
SCHEMBL16610919 0.92 JAK2 (0.36) KDM4EALDH1A1HPGDPDGFRBKCNJ5
SCHEMBL16611103 0.89 KDM4E (0.43) KDM4EALDH1A1HPGDPDGFRBCCNA2
Hydrochloric Acid SCHEMBL16611325 0.88 KDM4E (0.43) KDM4EALDH1A1HPGDPDGFRBCCNA2
SCHEMBL16610794 0.87 ALDH1A1 (0.34) KDM4EALDH1A1HPGDPDGFRBKCNJ5
SCHEMBL16611193 0.85 PDGFRB (0.42) KDM4EALDH1A1HPGDPDGFRBCCNA2
SCHEMBL16611172 0.82 SCN9A (0.35) KDM4EALDH1A1HPGDKCNJ5KCNJ3
SCHEMBL16611069 0.81 PRKAB2 (0.38) ALDH1A1RORC
SCHEMBL16610759 0.81 SCN9A (0.35) KCNJ5KCNJ3ROCK1NTRK1RORC
SCHEMBL16726679 0.80 MAP2K4 (0.42) KCNJ5KCNJ3CDK2ROCK1NTRK1
SCHEMBL16610943 0.80 CYP2A13 (0.42) KDM4EALDH1A1HPGDNTRK1

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 KDM4E 456/4885ALDH1A1 3511/4885HPGD 1854/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 KDM4E 456/4885ALDH1A1 3511/4885HPGD 1854/4885

“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.