SCHEMBL14329610

SCHEMBL14329610

c1ccc2c(c1)c1ccccc1c1cc(-n3c4cccnc4c4c5ccc6cc7c(c8ccc(cc43)c5c68)c3ncccc3n7-c3ccc4c5ccccc5c5ccccc5c4c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 5/20 0.32
▸ CCR1 P32246 4/20 0.32
▸ CCR8 P51685 4/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ CCR5 P51681 2/20 0.32
▸ GMNN O75496 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ MTOR P42345 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
SCHEMBL14329605 0.91 KDM4E (0.41) ALDH1A1LMNAMAPTCCR1CCR8
SCHEMBL14329597 0.90 MAPK10 (0.38) ALDH1A1LMNAMAPTCCR1CCR8
SCHEMBL14329584 0.89 KDM4E (0.42) ALDH1A1MAPTKDM4ETSHRL3MBTL1
SCHEMBL14329599 0.88 MAPT (0.35) ALDH1A1LMNAMAPTCCR1CCR8
SCHEMBL14329571 0.88 KDM4E (0.40) ALDH1A1LMNAMAPTCCR1CCR8
SCHEMBL14330495 0.86 CYP1A2 (0.40) ALDH1A1LMNAMAPTCCR1CCR8
SCHEMBL14329583 0.86 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EHSP90AA1MMP2
SCHEMBL14329580 0.84 HPGD (0.36) LMNAMAPTKDM4EHSP90AA1HTT
SCHEMBL14329618 0.84 KDM4E (0.33) LMNAMAPTCCR1CCR8KDM4E
SCHEMBL14329590 0.83 TOP1 (0.34) ALDH1A1LMNAMAPTCCR1CCR8

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-8771844-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-08 — — US disclosed
US-8771844-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-08 — — US disclosed
US-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 — — US disclosed
US-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 — — 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-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND DDT, DRD1, HTR3D ALDH1A1 24/4885LMNA 3361/4885MAPT 1026/4885

“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.

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