SCHEMBL16610885

SCHEMBL16610885

C[C@@H]1CCC[C@@H]1n1cc(Br)c2c(=O)[nH]ccc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.34
JAK2 O60674 16/20 0.33
JAK1 P23458 16/20 0.33
JAK3 P52333 2/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RECQL P46063 1/20 0.31

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
SCHEMBL16610886 1.00 HCAR1 (0.34) HCAR1JAK2JAK1JAK3ALDH1A1
SCHEMBL16610888 1.00 HCAR1 (0.34) HCAR1JAK2JAK1JAK3ALDH1A1
SCHEMBL16611761 0.81 KDM4E (0.35) HCAR1JAK2JAK1JAK3ALDH1A1
SCHEMBL16623539 0.78 BRD9 (0.32) HCAR1JAK2JAK1
SCHEMBL18052592 0.76 BRD9 (0.30)
SCHEMBL19216150 0.73 JAK2 (0.43) JAK2JAK1
SCHEMBL16610650 0.71 OPRM1 (0.31)
SCHEMBL16610648 0.71 OPRM1 (0.31)
SCHEMBL25066213 0.62 KCNH2 (0.37) HCAR1JAK2JAK1JAK3ALDH1A1
SCHEMBL16332411 0.61 HCAR1 (0.35) HCAR1JAK2JAK1JAK3KMT2A

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 HCAR1 2963/4885JAK2 1/4885JAK1 2/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 HCAR1 2963/4885JAK2 1/4885JAK1 2/4885

“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.