SCHEMBL16610778

SCHEMBL16610778

O=c1[nH]cc(Cl)c2c1c(-c1cccc(OCCO)c1)nn2-c1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 4/20 0.38
KCNJ3 P48549 4/20 0.38
CCNK O75909 1/20 0.37
CCND3 P30281 1/20 0.37
GSK3B P49841 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
CDK6 Q00534 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL16610975 0.81 MAP2K4 (0.44) KCNJ5KCNJ3NPC1RAB9APDE10A
SCHEMBL16610870 0.80 KCNJ5 (0.41) KCNJ5KCNJ3SYK
SCHEMBL16726697 0.79 KCNJ5 (0.37) KCNJ5KCNJ3MAPT
SCHEMBL16726691 0.78 ACACA (0.39) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL16610736 0.78 ROCK2 (0.39) KCNJ5KCNJ3
SCHEMBL16610777 0.78 RORC (0.39) KCNJ5KCNJ3GSK3BCDK7CDK9
SCHEMBL16610697 0.77 RORC (0.38) KCNJ5KCNJ3MAPTPDE10A
SCHEMBL16726694 0.77 PARP1 (0.39) KCNJ5KCNJ3MAPT
SCHEMBL18052622 0.77 KCNJ5 (0.36) KCNJ5KCNJ3
SCHEMBL16611119 0.77 TP53 (0.41) CCNKCCND3GSK3BCDK7CDK9

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 KCNJ5 2242/4885KCNJ3 2857/4885CCNK 1211/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 KCNJ5 2242/4885KCNJ3 2857/4885CCNK 1211/4885

“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.