SCHEMBL16611152

SCHEMBL16611152

O=c1[nH]cc(Br)c2c1c(-c1ccc(N3CCOCC3)cc1)nn2-c1c(F)cccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.41
CDK2 P24941 5/20 0.38
CCNA2 P20248 3/20 0.38
ZAP70 P43403 2/20 0.38
ROCK1 Q13464 2/20 0.37
GSK3B P49841 2/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
LRRK2 Q5S007 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL16611103 0.90 KDM4E (0.43) PDGFRBCDK2CCNA2ZAP70ROCK1
Hydrochloric Acid SCHEMBL16611325 0.89 KDM4E (0.43) PDGFRBCDK2CCNA2ZAP70ROCK1
SCHEMBL16611220 0.89 PDGFRB (0.41) PDGFRBCDK2CCNA2ZAP70ROCK1
SCHEMBL16611193 0.87 PDGFRB (0.42) PDGFRBCDK2CCNA2ZAP70ROCK1
SCHEMBL16611246 0.86 CDK2 (0.44) PDGFRBCDK2CCNA2ROCK1GSK3B
SCHEMBL16611949 0.81 ZAP70 (0.41) PDGFRBCDK2CCNA2ZAP70ROCK1
SCHEMBL16610794 0.81 ALDH1A1 (0.34) PDGFRBCDK2CCNA2GSK3BALDH1A1
Hydrochloric Acid SCHEMBL16611399 0.80 ZAP70 (0.41) PDGFRBCDK2CCNA2ZAP70ROCK1
SCHEMBL16611412 0.80 PDE3B (0.43) ALDH1A1HPGDKDM4EPDE3BPDE3A
SCHEMBL16610919 0.80 JAK2 (0.36) PDGFRBCDK2CCNA2ALDH1A1HPGD

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 8 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-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
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
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 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 PDGFRB 1572/4885CDK2 302/4885CCNA2 1165/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 PDGFRB 1572/4885CDK2 302/4885CCNA2 1165/4885

“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.