SCHEMBL14329601

SCHEMBL14329601

c1ccc(-c2ccc(-n3c4cccnc4c4c5ccc6cc7c(c8ccc(cc43)c5c68)c3ncccc3n7-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 5/20 0.36
▸ CKS1B P61024 6/20 0.36
▸ SKP2 Q13309 6/20 0.36
▸ GLO1 Q04760 2/20 0.36
▸ COMT P21964 1/20 0.34
▸ PIK3R2 O00459 2/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ CCR1 P32246 2/20 0.33
▸ CCR5 P51681 2/20 0.33
▸ CCR8 P51685 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GMNN O75496 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ MMP2 P08253 1/20 0.31

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
SCHEMBL14330534 0.84 TOP1 (0.34) TOP1CKS1BSKP2GLO1COMT
SCHEMBL14329582 0.83 CYP3A4 (0.40) CCR1CCR5CCR8L3MBTL1KDM4E
SCHEMBL14330496 0.83 CYP17A1 (0.33) TOP1CKS1BSKP2GLO1PIK3R2
SCHEMBL14330505 0.82 TOP1 (0.35) TOP1CKS1BSKP2GLO1COMT
SCHEMBL14330502 0.82 TNKS (0.32) CKS1BSKP2GLO1CYP3A4
SCHEMBL14329607 0.82 CYP1A2 (0.39) CCR1CCR5CCR8L3MBTL1KDM4E
SCHEMBL14329591 0.82 KDM4E (0.39) COMTCCR1CCR5CCR8L3MBTL1
SCHEMBL14330492 0.81 KDM4E (0.35) TOP1CKS1BSKP2GLO1COMT
SCHEMBL14330504 0.81 ALDH1A1 (0.33) TOP1CKS1BSKP2GLO1L3MBTL1
SCHEMBL14331584 0.81 TOP1 (0.40) TOP1CKS1BSKP2GLO1MEN1

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 TOP1 2657/4885CKS1B 3737/4885SKP2 436/4885

“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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