SCHEMBL19009811

SCHEMBL19009811

O=S(=O)(c1ccccc1)c1cccc(-c2cc3nc(-c4ccccc4)c4c5ccccc5c5ccccc5c4c3c3cccnc23)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.36
NPY1R P25929 1/20 0.35
GLO1 Q04760 5/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
CKS1B P61024 3/20 0.33
SKP2 Q13309 3/20 0.33
TOP1 P11387 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HTR6 P50406 1/20 0.32
MMP2 P08253 1/20 0.32
SLC40A1 Q9NP59 2/20 0.32
NAMPT P43490 1/20 0.31
METAP2 P50579 2/20 0.31
METAP1 P53582 2/20 0.31
G6PD P11413 1/20 0.31

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
SCHEMBL19009840 0.90 TDP1 (0.34) TOP2AMAPTHTR6TDP1
SCHEMBL19009793 0.85 NPY1R (0.35) NPY1RGLO1LMNAMAPTPKM
SCHEMBL19009837 0.79 TOP2A (0.34) TOP2ATOP1
SCHEMBL19009817 0.78 TOP1 (0.34) TOP2ATOP1
SCHEMBL19009863 0.77 HSD11B1 (0.34) HTR6TDP1
SCHEMBL19009782 0.74 HTR1A (0.33) HTR6MMP2TDP1
SCHEMBL19009864 0.73 ALDH1A1 (0.36) LMNAPKMHTR6TDP1
SCHEMBL19009865 0.73 TDP1 (0.36) TOP2ALMNAHTR6TDP1
SCHEMBL19009839 0.71 PRMT5 (0.38) TOP2ALMNAPKMHTR6NAMPT
SCHEMBL19009874 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 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 (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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 TOP2A 2161/4885NPY1R 3808/4885GLO1 2009/4885

“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.