SCHEMBL16611352

SCHEMBL16611352

COc1nccc2c1c(-c1ccc(C3CCN(C(C)=O)CC3)cc1)nn2-c1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.38
MAPK11 Q15759 2/20 0.38
MAPK14 Q16539 2/20 0.38
KCNH2 Q12809 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
WNT3A P56704 1/20 0.37
BTK Q06187 1/20 0.37
NAMPT P43490 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
CDK9 P50750 2/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
CCNT1 O60563 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
LMNA P02545 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKG1 Q13976 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
SCHEMBL16610899 0.87 RORC (0.35) MAPK11MAPK14KCNH2ALDH1A1BTK
SCHEMBL16611592 0.85 SLC6A2 (0.42) MAPK14
SCHEMBL16611141 0.81 ZAP70 (0.39) QDPRMAPK11MAPK14KCNH2BTK
SCHEMBL16611684 0.80 RORC (0.43) FFAR4
SCHEMBL16611818 0.79 ALDH1A1 (0.39) MAPK11MAPK14NPC1ALDH1A1HTT
SCHEMBL16610536 0.77 BRAF (0.39) ALDH1A1ROCK2PRKG1
SCHEMBL16611134 0.77 FFAR4 (0.36) MAPK14HTTBTKFFAR4LMNA
SCHEMBL16610686 0.77 MAPK1 (0.39) KCNH2NPC1ALDH1A1HTTRAB9A
SCHEMBL16610668 0.76 CKS1B (0.41) ALDH1A1WNT3ABTKNAMPTLMNA
SCHEMBL16610962 0.75 MAP4K1 (0.41) KCNH2NPC1ALDH1A1RAB9ACASP7

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 QDPR 3213/4885MAPK11 30/4885MAPK14 52/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 QDPR 3213/4885MAPK11 30/4885MAPK14 52/4885

“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.