SCHEMBL16611482

SCHEMBL16611482

COc1nccc2c1c(-c1ccc(C3=CCN(Cc4ccccc4)CC3)cc1)nn2-c1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DRD2 P14416 4/20 0.37
HTR1A P08908 2/20 0.37
HDAC4 P56524 1/20 0.36
NAMPT P43490 1/20 0.36
PARP1 P09874 1/20 0.36
DRD4 P21917 3/20 0.36
DRD3 P35462 3/20 0.36
SIGMAR1 Q99720 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
HBB P68871 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
SCHEMBL16610852 0.79 CNR1 (0.43) DRD2DRD4DRD3KDM4E
SCHEMBL16611134 0.76 FFAR4 (0.36)
SCHEMBL16611229 0.76 LRRK2 (0.33)
SCHEMBL16610973 0.75 PIK3CG (0.37) MEN1KMT2ANPSR1KDM4E
SCHEMBL16610962 0.74 MAP4K1 (0.41) KDM4EMAPTCASP1
SCHEMBL16611034 0.74 SRC (0.39)
SCHEMBL16611300 0.73 KHK (0.46) MAPK1HTR1ASIGMAR1CASP1
SCHEMBL16611570 0.73 PPARD (0.38) CDK9
SCHEMBL16611438 0.72 HTR7 (0.38)
SCHEMBL16611049 0.72 PTGS2 (0.43)

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 MEN1 200/4885KMT2A 105/4885CCNT1 669/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 MEN1 200/4885KMT2A 105/4885CCNT1 669/4885

“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.