SCHEMBL20174277

SCHEMBL20174277

c1ccc2c(c1)-c1ccc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)cc1C21c2ccccc2-c2oc3ccccc3c21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
RAC1 P63000 2/20 0.32
MAOB P27338 1/20 0.32
CTRC Q99895 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
PRKDC P78527 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL20174255 0.96 CYP1A1 (0.38) PIM1CYP1A2CYP1A1CYP1B1MAOB
SCHEMBL20174713 0.96 PIM1 (0.33) PIM1CYP1A2CYP1A1CYP1B1MAOB
SCHEMBL20174261 0.93 CYP1A1 (0.39) PIM1CYP1A2CYP1A1CYP1B1MAOB
SCHEMBL20174225 0.90 KMT2A (0.37) CYP1A2CYP1B1SMN1; SMN2KDM4EMEN1
SCHEMBL20174293 0.90 PIM1 (0.30) PIM1SLC6A2SLC6A4SLC6A3
SCHEMBL20174262 0.89 CYP1A1 (0.36) PIM1CYP1A2CYP1A1CYP1B1MAOB
SCHEMBL20174249 0.89 ALDH1A1 (0.33) PIM1CYP1A2SMN1; SMN2KDM4EMEN1
SCHEMBL20174278 0.88 KMT2A (0.37) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL20174287 0.88 KMT2A (0.37) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL20174198 0.88 KMT2A (0.36) KDM4EMEN1ALDH1A1LMNAMAPT

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-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PIM1 2804/4885CYP1A2 436/4885CYP1A1 726/4885

“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.