SCHEMBL19626567

SCHEMBL19626567

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc(N(c5ccc6c(c5)c5ccccc5n6-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
TSHR P16473 4/20 0.33
ADORA3 P0DMS8 1/20 0.33
ALOX15 P16050 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPT P10636 4/20 0.32
KDM4E B2RXH2 4/20 0.32
LMNA P02545 3/20 0.32
HPGD P15428 3/20 0.32
PDE5A O76074 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 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
SCHEMBL20110547 0.98 ALDH1A1 (0.33) ALDH1A1TSHRADORA3ALOX15ADORA2A
SCHEMBL17897522 0.98 ALDH1A1 (0.33) ALDH1A1TSHRADORA3ALOX15ADORA2A
SCHEMBL29626014 0.94 TSHR (0.34) ALDH1A1TSHRADORA3ALOX15ADORA2A
SCHEMBL18511462 0.93 MEN1 (0.37) ALDH1A1TSHRADORA2AADORA1MAPT
SCHEMBL27109946 0.92 RAC2 (0.35) ALDH1A1KDM4EPDE5AL3MBTL1ATM
SCHEMBL20110496 0.92 RAC2 (0.35) ALDH1A1KDM4EPDE5AL3MBTL1ATM
SCHEMBL17897553 0.89 MEN1 (0.33) ALDH1A1TSHRADORA2AADORA1MAPT
SCHEMBL17897556 0.87 MEN1 (0.35) ALDH1A1TSHRADORA2AADORA1MAPT
SCHEMBL21965165 0.87 ALDH1A1 (0.38) ALDH1A1TSHRADORA3ALOX15ADORA2A
SCHEMBL25636578 0.87

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-10043981-B2 Light-emitting material, organic light-emitting device, and compound KYULUX, INC. (JP) 2018-08-07 US disclosed
US-10043981-B2 Light-emitting material, organic light-emitting device, and compound KYULUX, INC. (JP) 2018-08-07 US disclosed
US-20170338418-A1 LIGHT-EMITTING MATERIAL, ORGANIC LIGHT-EMITTING DEVICE, AND COMPOUND KYULUX, INC. (JP) 2017-11-23 US disclosed
US-20170338418-A1 LIGHT-EMITTING MATERIAL, ORGANIC LIGHT-EMITTING DEVICE, AND COMPOUND KYULUX, INC. (JP) 2017-11-23 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-10043981-B2 Light-emitting material, organic light-emitting device, and compound GRK1, ARL1, NR2E3 ALDH1A1 108/4885TSHR 3363/4885ADORA3 266/4885
US-20170338418-A1 LIGHT-EMITTING MATERIAL, ORGANIC LIGHT-EMITTING DEVICE, AND COMPOUND GRK1, ARL1, NR2E3 ALDH1A1 108/4885TSHR 3363/4885ADORA3 266/4885

“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.