SCHEMBL16611420

SCHEMBL16611420

O=c1[nH]ccc2c1c(-c1ccc(N3CCOCC3)cc1)nn2C1CCCCC1(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 5/20 0.37
JAK2 O60674 7/20 0.36
JAK1 P23458 7/20 0.36
SYK P43405 2/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
CFTR P13569 1/20 0.35
PDGFRB P09619 1/20 0.35
TNKS O95271 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL16610691 0.86 PDE3B (0.38) ZAP70JAK2JAK1SYKPDE3B
SCHEMBL16610717 0.84 ZAP70 (0.38) ZAP70JAK2JAK1SYKPDE3B
SCHEMBL16611010 0.78 LRRK2 (0.38) CFTR
SCHEMBL16611792 0.75 ZAP70 (0.42) ZAP70SYKPDE3BPDE3APDGFRB
SCHEMBL16611423 0.72 ZAP70 (0.41) ZAP70SYKCFTRPDGFRB
SCHEMBL16611949 0.72 ZAP70 (0.41) ZAP70SYKPDE3BPDE3APDGFRB
Hydrochloric Acid SCHEMBL16611399 0.71 ZAP70 (0.41) ZAP70SYKPDE3BPDE3APDGFRB
SCHEMBL16611356 0.69 JAK2 (0.49) JAK2JAK1
SCHEMBL16611369 0.68 CCNA2 (0.41) ZAP70JAK2JAK1
SCHEMBL16610757 0.67 PARP1 (0.40) ZAP70JAK2SYKCFTR

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 ZAP70 574/4885JAK2 1/4885JAK1 2/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ZAP70 574/4885JAK2 1/4885JAK1 2/4885

“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.