SCHEMBL19009814

SCHEMBL19009814

O=P(c1ccccc1)(c1ccccc1)c1cc2nc(-c3ccccc3)c3c4ccccc4c4ccccc4c3c2c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.37
DHODH Q02127 3/20 0.35
PDE10A Q9Y233 3/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA2A P29274 1/20 0.33
NUDT1 P36639 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
TLR9 Q9NR96 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
SCHEMBL19009835 0.89 TOP1 (0.34) TOP1DHODHPDE10ALMNATSHR
SCHEMBL19009800 0.84 TOP1 (0.38) TOP1DHODHPDE10ALMNATSHR
SCHEMBL19009799 0.83 TOP1 (0.35) TOP1DHODHPDE10ALMNATSHR
SCHEMBL17035150 0.82 NUDT1 (0.40) TOP1DHODHPDE10ALMNATSHR
SCHEMBL19009801 0.81 LMNA (0.34) TOP1DHODHPDE10ALMNATSHR
SCHEMBL19009823 0.80 CYP11B1 (0.35) TOP1DHODHPDE10ALMNATSHR
SCHEMBL20249897 0.80 NUDT1 (0.40) DHODHPDE10ALMNATSHRALDH1A1
SCHEMBL19009824 0.79 TOP1 (0.33) TOP1DHODHPDE10ALMNA
SCHEMBL19009803 0.79 TOP1 (0.35) TOP1DHODHPDE10ALMNA
SCHEMBL19009836 0.79 MAPT (0.32) ALDH1A1ADORA2A

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 TOP1 898/4885DHODH 1619/4885PDE10A 2487/4885

“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.