SCHEMBL16611850

SCHEMBL16611850

O=c1[nH]ccc2c1c(-c1cccc(F)c1)nn2C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.42
JAK1 P23458 10/20 0.42
EGFR P00533 5/20 0.41
PIK3CD O00329 3/20 0.40
ABL1 P00519 3/20 0.40
HCK P08631 3/20 0.40
SRC P12931 3/20 0.40
KDR P35968 3/20 0.40
PIK3CA P42336 3/20 0.40
PIK3CB P42338 3/20 0.40
MTOR P42345 3/20 0.40
PIK3CG P48736 3/20 0.40
EPHB4 P54760 3/20 0.40
PRKDC P78527 3/20 0.40
JAK3 P52333 1/20 0.40
PI4KB Q9UBF8 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
DAPK3 O43293 1/20 0.39
ROCK2 O75116 1/20 0.39

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
SCHEMBL16611356 0.86 JAK2 (0.49) JAK2JAK1EGFRPIK3CDABL1
SCHEMBL16610614 0.86 EGFR (0.43) JAK2JAK1EGFRPIK3CDABL1
SCHEMBL16611757 0.86 JAK2 (0.47) JAK2JAK1EGFRPIK3CDABL1
SCHEMBL16611159 0.84 PDE4D (0.42) JAK2JAK1EGFRPIK3CDABL1
SCHEMBL16610855 0.84 ITK (0.43) EGFRPIK3CDABL1HCKSRC
SCHEMBL16610945 0.84 JAK2 (0.44) JAK2JAK1EGFRCYP1A2CYP3A4
SCHEMBL18052609 0.84 PIK3CD (0.40) JAK2JAK1EGFRPIK3CDABL1
SCHEMBL16610873 0.83 JAK2 (0.45) JAK2JAK1EGFRPIK3CDABL1
SCHEMBL16611153 0.81 JAK1 (0.46) JAK2JAK1
SCHEMBL16610983 0.80 JAK2 (0.42) JAK2JAK1EGFRPIK3CDABL1

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 10 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-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
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-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
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 JAK2 1/4885JAK1 2/4885EGFR 4532/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 JAK2 1/4885JAK1 2/4885EGFR 4532/4885

“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.