SCHEMBL16623515

SCHEMBL16623515

N=C(c1ccc(C(F)(F)F)cc1)c1c(NC2CCCC2)cc[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
JAK1 P23458 5/20 0.36
JAK2 O60674 4/20 0.36
PDE2A O00408 2/20 0.35
BTK Q06187 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ESR1 P03372 1/20 0.35
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
EPHX2 P34913 1/20 0.34
PLAU P00749 1/20 0.34
HPN P05981 1/20 0.34
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33

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
SCHEMBL16726651 0.87 NPC1 (0.41) PARP1JAK1JAK2MEN1KMT2A
SCHEMBL16726650 0.87 TAS1R3 (0.40) MEN1LMNAHTTKMT2AESR1
SCHEMBL16623555 0.86 JAK1 (0.38) JAK1JAK2KMT2A
SCHEMBL16726649 0.86 EPHX2 (0.41) JAK1JAK2SCN8ASCN10AEPHX2
SCHEMBL16623528 0.85 RAB9A (0.41) PARP1JAK1JAK2KMT2ASMN1; SMN2
SCHEMBL16623464 0.85 JAK1 (0.38) JAK1JAK2
SCHEMBL16623442 0.85 JAK1 (0.40) JAK1JAK2MEN1KMT2A
SCHEMBL16623521 0.84 JAK1 (0.39) PARP1JAK1JAK2LMNA
SCHEMBL20246326 0.84 LMNA (0.46) PARP1JAK1JAK2MEN1LMNA
SCHEMBL16623527 0.84 JAK1 (0.36) JAK1JAK2EPHX2

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 PARP1 875/4885JAK1 2/4885JAK2 1/4885

“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.