SCHEMBL16611398

SCHEMBL16611398

COc1nccc2c1c(-c1csc(C(=O)NCCO)c1)nn2C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.41
BTK Q06187 10/20 0.41
PDE7A Q13946 2/20 0.40
MMP12 P39900 3/20 0.37
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL16611243 0.89 EGFR (0.40) EGFRBTKPDE7A
SCHEMBL16611306 0.89 EGFR (0.41) EGFRBTKPDE7A
SCHEMBL16610698 0.87 EGFR (0.40) EGFRBTKPDE7A
SCHEMBL16611252 0.86 EGFR (0.39) EGFRBTK
SCHEMBL16610707 0.85 EGFR (0.40) EGFRBTK
SCHEMBL16610979 0.83 EGFR (0.37) EGFRBTKPDE7A
SCHEMBL16611209 0.80 MMP12 (0.37) BTKPDE7AMMP12
SCHEMBL16611009 0.79 LRRK2 (0.41) EGFRMMP12MMP2MMP8MMP13
SCHEMBL16611248 0.76 BTK (0.35) EGFRBTK
SCHEMBL16610884 0.76 BTK (0.35) EGFRBTK

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 EGFR 4532/4885BTK 117/4885PDE7A 3308/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 EGFR 4532/4885BTK 117/4885PDE7A 3308/4885

“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.