SCHEMBL16610832

SCHEMBL16610832

COc1nccc2c1c(Nc1ccc(S(N)(=O)=O)cc1)nn2C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.47
JAK1 P23458 8/20 0.47
TGFBR1 P36897 4/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CDK2 P24941 5/20 0.39
CDK1 P06493 2/20 0.39
CCNT1 O60563 1/20 0.39
CCNB1 P14635 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CCNH P51946 1/20 0.39
CDK5 Q00535 1/20 0.39
CCNA2 P20248 3/20 0.39
CCNA1 P78396 3/20 0.39
IKBKB O14920 1/20 0.39
CCNE1 P24864 1/20 0.39
CA12 O43570 1/20 0.38

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
SCHEMBL16611355 0.89 BMPR2 (0.42) TGFBR1CA1CA2CDK2CDK1
SCHEMBL16611321 0.84 JAK2 (0.41) JAK2JAK1CDK2CDK1CCNB1
SCHEMBL16611184 0.84 EGFR (0.42) CA1CA2CA9CA12
SCHEMBL16610827 0.83 EGFR (0.42) CA1CA2CA9CA12
SCHEMBL16126947 0.77 JAK2 (0.75) JAK2JAK1
SCHEMBL16611217 0.77 LRRK2 (0.45)
SCHEMBL20246370 0.76 JAK2 (0.73) JAK2JAK1
SCHEMBL16611225 0.75 TGFBR1 (0.42) JAK2TGFBR1CA1CA2
SCHEMBL16610982 0.74 EGFR (0.41) CA1CA2
SCHEMBL16611068 0.74 MERTK (0.47)

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 JAK2 1/4885JAK1 2/4885TGFBR1 1544/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 JAK2 1/4885JAK1 2/4885TGFBR1 1544/4885

“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.