SCHEMBL14725617

SCHEMBL14725617

c1ccc(N(c2ccccc2)c2ccc(-c3cc4cc5c(cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6cc7c(cc65)sc5ccccc57)cc4c4cc5sc6ccccc6c5cc34)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
POLB P06746 1/20 0.35
ALOX5 P09917 1/20 0.35
APP P05067 1/20 0.32
CYP1A2 P05177 2/20 0.32
GPR84 Q9NQS5 1/20 0.30
PTPN7 P35236 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN12 Q05209 1/20 0.30
PTPN22 Q9Y2R2 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 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
SCHEMBL16472914 0.97 GPR3 (0.37) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL15461832 0.97 GPR3 (0.37) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL15946240 0.95 GPR3 (0.39) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL21180571 0.94 GPR3 (0.36) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL21180664 0.94 GPR3 (0.36) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL21180583 0.92 GPR3 (0.39) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL16472872 0.91 GPR3 (0.30) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL16472670 0.89 GPR84 (0.33) GPR84
SCHEMBL21180610 0.88 GPR3 (0.33) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL16472829 0.88 AHR (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255084-B2 Heterocyclic compound and organic light-emitting device containing the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-02-09 US disclosed
US-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-02-28 US disclosed
US-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-02-28 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-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME TRPC1, TRPC4, TRPC6 GPR3 3596/4885ALDH1A1 813/4885MAPT 717/4885

“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.