SCHEMBL14329597

SCHEMBL14329597

c1ccc2cc(-n3c4cccnc4c4c5ccc6cc7c(c8ccc(cc43)c5c68)c3ncccc3n7-c3ccc4ccccc4c3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 11/20 0.38
▸ MAPK9 P45984 10/20 0.38
▸ MAPK8 P45983 5/20 0.38
▸ MAPT P10636 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ CCR1 P32246 2/20 0.35
▸ CCR5 P51681 2/20 0.35
▸ CCR8 P51685 2/20 0.35
▸ GMNN O75496 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL14329599 0.96 MAPT (0.35) MAPK10MAPK9MAPK8MAPTKDM4E
SCHEMBL14329610 0.90 ALDH1A1 (0.33) MAPTKDM4EGAAALDH1A1CCR1
SCHEMBL14329605 0.88 KDM4E (0.41) MAPTKDM4EALDH1A1CCR1CCR5
SCHEMBL14329571 0.88 KDM4E (0.40) MAPTKDM4EALDH1A1CCR1CCR5
SCHEMBL14330495 0.86 CYP1A2 (0.40) MAPTKDM4EGAAALDH1A1CCR1
SCHEMBL14329583 0.86 ALDH1A1 (0.35) MAPTKDM4EALDH1A1HSP90AA1MMP2
SCHEMBL14329580 0.84 HPGD (0.36) MAPTKDM4ECYP19A1LMNAHSP90AA1
SCHEMBL14329584 0.84 KDM4E (0.42) MAPTKDM4EALDH1A1TSHRL3MBTL1
SCHEMBL14329618 0.84 KDM4E (0.33) MAPK10MAPTKDM4ECCR1CCR5
SCHEMBL14329590 0.83 TOP1 (0.34) MAPTKDM4EALDH1A1CYP19A1CCR1

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 MAPK10 3300/4885MAPK9 1807/4885MAPK8 1636/4885

“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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