SCHEMBL16623442

SCHEMBL16623442

N=C(c1ccncc1)c1c(NC2CCCC2)cc[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 7/20 0.40
JAK2 O60674 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
PTGS1 P23219 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HIPK2 Q9H2X6 2/20 0.36
CDC7 O00311 1/20 0.36
DYRK3 O43781 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
CDK1 P06493 1/20 0.36
CSF1R P07333 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36
MARK3 P27448 1/20 0.36
MAPK1 P28482 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36

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
SCHEMBL16623521 0.88 JAK1 (0.39) JAK1JAK2
SCHEMBL16623555 0.86 JAK1 (0.38) JAK1JAK2KMT2AEPHX1
SCHEMBL16623464 0.85 JAK1 (0.38) JAK1JAK2
SCHEMBL16623528 0.85 RAB9A (0.41) JAK1JAK2KMT2AEPHX1
SCHEMBL16726651 0.85 NPC1 (0.41) JAK1JAK2MEN1KMT2APIM1
SCHEMBL16623515 0.85 PARP1 (0.41) JAK1JAK2MEN1KMT2A
SCHEMBL16623542 0.84 JAK1 (0.39) JAK1JAK2ROCK2
SCHEMBL16623524 0.84 JAK1 (0.37) JAK1JAK2ROCK2
SCHEMBL16623525 0.83 JAK1 (0.36) JAK1JAK2KMT2AROCK2
SCHEMBL16623527 0.82 JAK1 (0.36) JAK1JAK2MAPK1ROCK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 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
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 (1 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-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 JAK1 2/4885JAK2 1/4885L3MBTL1 2322/4885

“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.