SCHEMBL16611423

SCHEMBL16611423

O=c1[nH]ccc2c1c(-c1ccc(N3CCOCC3)cc1)nn2-c1c(F)cc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 7/20 0.41
RPS6KA3 P51812 1/20 0.40
GRIA1 P42261 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDGFRB P09619 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
SYK P43405 2/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
XDH P47989 1/20 0.36
CFTR P13569 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL16611949 0.92 ZAP70 (0.41) ZAP70RPS6KA3KDM4EPDGFRBSYK
Hydrochloric Acid SCHEMBL16611399 0.91 ZAP70 (0.41) ZAP70RPS6KA3KDM4EPDGFRBSYK
SCHEMBL16611369 0.91 CCNA2 (0.41) ZAP70RPS6KA3CCNA2CDK2
SCHEMBL16610757 0.90 PARP1 (0.40) ZAP70RPS6KA3PIK3CDPIK3CAPIK3CB
SCHEMBL16611115 0.83 CCNA2 (0.41) ZAP70KDM4EPDGFRBCCNA2CDK2
SCHEMBL16726713 0.82 KHK (0.37) RPS6KA3LMNAMAPTPARP1
SCHEMBL16611236 0.81 DGAT1 (0.36) PIK3CD
SCHEMBL16610974 0.80 CNR2 (0.49) CFTR
SCHEMBL16611383 0.79 ZAP70 (0.35) ZAP70SMN1; SMN2PIK3CDPIK3CAPIK3CB
SCHEMBL18052632 0.79 PTGER1 (0.33) ZAP70RPS6KA3PARP1CCNA2CDK2

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 574/4885RPS6KA3 2896/4885GRIA1 4225/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ZAP70 574/4885RPS6KA3 2896/4885GRIA1 4225/4885

“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.