SCHEMBL16611486

SCHEMBL16611486

O=C(CO)N1CCN(c2ccc(-c3nn(-c4c(F)cccc4F)c4cc[nH]c(=O)c34)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 1/20 0.36
PARP1 P09874 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 3/20 0.35
THRB P10828 1/20 0.35
PTGER1 P34995 1/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL16611302 0.91 ROCK2 (0.41) MAPTMEN1KMT2AROCK2ROCK1
SCHEMBL16610679 0.89 GFER (0.37) MAPTMEN1KMT2AKDM4EHSD17B10
SCHEMBL16611949 0.84 ZAP70 (0.41) ROCK1KDM4ECASP1CASP7HSD17B10
SCHEMBL16726713 0.84 KHK (0.37) MAPTMEN1PARP1KMT2ACASP1
Hydrochloric Acid SCHEMBL16611399 0.83 ZAP70 (0.41) ROCK1KDM4ECASP1CASP7HSD17B10
SCHEMBL18052632 0.83 PTGER1 (0.33) PARP1PTGER1
SCHEMBL16611480 0.82 SMN1; SMN2 (0.38) MAPTMEN1KMT2AKDM4EHSD17B10
SCHEMBL16611251 0.80 EED (0.39) MAPTROCK1LMNAALDH1A1
SCHEMBL16610686 0.80 MAPK1 (0.39) AKR1C3MAPTMEN1KMT2AROCK2
SCHEMBL16623574 0.79 AKR1C3 (0.32) AKR1C3PTGER1

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 AKR1C3 2778/4885MAPT 1208/4885MEN1 200/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 AKR1C3 2778/4885MAPT 1208/4885MEN1 200/4885

“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.