SCHEMBL16611355

SCHEMBL16611355

COc1nccc2c1c(Nc1cccc(S(N)(=O)=O)c1)nn2C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR2 Q13873 6/20 0.42
BRD4 O60885 1/20 0.42
CDK1 P06493 4/20 0.41
CCNB1 P14635 3/20 0.41
CDK2 P24941 2/20 0.41
CCNB2 O95067 1/20 0.41
CCNA2 P20248 1/20 0.41
NEK2 P51955 1/20 0.41
CCNA1 P78396 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
ROCK1 Q13464 1/20 0.40
PDE5A O76074 1/20 0.40
CCNT1 O60563 3/20 0.40
CDK9 P50750 3/20 0.40
MTOR P42345 2/20 0.40
PIK3CA P42336 1/20 0.40
PRKDC P78527 1/20 0.40
TGFBR1 P36897 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL16610832 0.89 JAK2 (0.47) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL16611123 0.84 BMPR2 (0.44) BMPR2BRD4CDK1CCNB1CDK2
SCHEMBL16611321 0.83 JAK2 (0.41) CDK1CCNB1CDK2PIK3CAPRKDC
SCHEMBL16611208 0.83 ROCK1 (0.43) BMPR2BRD4CDK1CCNB1ROCK1
SCHEMBL16611217 0.83 LRRK2 (0.45) MTORPIK3CAPRKDCEGFRBTK
SCHEMBL16611951 0.79 JAK2 (0.60)
SCHEMBL16611184 0.77 EGFR (0.42) MTORPIK3CAPRKDCCA1CA2
SCHEMBL16610827 0.76 EGFR (0.42) MTORPIK3CAPRKDCCA1CA2
SCHEMBL16611250 0.72 JAK2 (0.44) CDK1CCNB1CDK2CCNB2CCNA2
SCHEMBL16714073 0.70 CDK1 (0.44) BMPR2BRD4CDK1CCNB1CDK2

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 BMPR2 1454/4885BRD4 24/4885CDK1 207/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 BMPR2 1454/4885BRD4 24/4885CDK1 207/4885

“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.