SCHEMBL17829434

SCHEMBL17829434

O=S(=O)(Oc1cccc2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
PTK2 Q05397 1/20 0.38
LMNA P02545 3/20 0.36
ALOX15 P16050 3/20 0.36
TSHR P16473 3/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
ENPP1 P22413 2/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL17829444 0.95 MAOB (0.38) JAK2JAK3PTK2LMNAGAA
SCHEMBL17829441 0.95 MAOB (0.38) JAK2JAK3PTK2LMNAGAA
SCHEMBL17829436 0.94 JAK2 (0.36) JAK2JAK3PTK2LMNAALOX15
SCHEMBL17829443 0.89 MEN1 (0.37) JAK2JAK3PTK2LMNAMAPK1
SCHEMBL21131728 0.89 CA1 (0.35) JAK2JAK3PTK2LMNATSHR
SCHEMBL17829445 0.89 MEN1 (0.37) JAK2JAK3PTK2LMNAMAPK1
SCHEMBL17829450 0.88 JAK2 (0.37) JAK2JAK3PTK2LMNAALOX15
SCHEMBL17829446 0.84 CA1 (0.35) JAK2JAK3PTK2LMNAALOX15
SCHEMBL17829448 0.84 CA1 (0.35) JAK2JAK3PTK2LMNAALOX15
SCHEMBL19939382 0.84 CA1 (0.41) JAK2JAK3PTK2CA1CA2

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-20180066180-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2018-03-08 US disclosed
US-20180066180-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2018-03-08 US disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 US disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 US 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-20180066180-A1 ORGANIC LIGHT-EMITTING DEVICE CRY1, CRY2, PPOX JAK2 4234/4885JAK3 1991/4885PTK2 4075/4885
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 JAK2 2552/4885JAK3 2156/4885PTK2 4306/4885

“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.