SCHEMBL16611372

SCHEMBL16611372

COc1ncc(Br)c2c1c(-c1ccc(N3CCOCC3)cc1)nn2-c1c(F)cccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.41
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CDK7 P50613 1/20 0.41
CCNH P51946 1/20 0.41
PIK3CA P42336 2/20 0.40
MTOR P42345 1/20 0.40
JAK2 O60674 1/20 0.39
GSK3B P49841 1/20 0.39
USP2 O75604 4/20 0.37
CASP1 P29466 4/20 0.37
CASP7 P55210 4/20 0.37
HIF1A Q16665 3/20 0.37
CYP1A2 P05177 2/20 0.37
PIK3CG P48736 2/20 0.36
PIK3CD O00329 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
SCHEMBL16610848 0.86 CCNA2 (0.46) MAP4K1CCNA2CDK2CDK1CDK4
SCHEMBL16610962 0.82 MAP4K1 (0.41) MAP4K1CCNA2CDK2CDK1CDK4
SCHEMBL16610976 0.79 ROCK2 (0.36)
SCHEMBL16610719 0.79 PIK3CG (0.36) CCNA2CDK2PIK3CAMTORPIK3CG
SCHEMBL16610883 0.78 PTGS2 (0.33) CCNA2CDK2TSHRLMNA
SCHEMBL16611152 0.77 PDGFRB (0.41) CCNA2CDK2CDK1CDK4CCNB1
SCHEMBL16610710 0.76 LMNA (0.33) KMT2AHSD17B10IGF1RKDM4ELMNA
SCHEMBL16611763 0.74 CCNA2 (0.43) MAP4K1CCNA2CDK2CDK1CDK4
SCHEMBL16610878 0.74 LRRK2 (0.33) PIK3CAPIK3CGPIK3CD
SCHEMBL16610666 0.73 PIK3CG (0.40) PIK3CAMTORPIK3CGPIK3CDPIK3CB

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 MAP4K1 305/4885CCNA2 1165/4885CDK2 302/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 MAP4K1 305/4885CCNA2 1165/4885CDK2 302/4885

“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.