SCHEMBL14330492

SCHEMBL14330492

c1ccc(-c2ccc3ccc4c5c(ccc2c35)cc2c4c3ncccc3n2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GLO1 Q04760 2/20 0.32
▸ CKS1B P61024 2/20 0.32
▸ SKP2 Q13309 2/20 0.32
▸ TOP1 P11387 1/20 0.32
▸ COMT P21964 1/20 0.30
▸ NPY5R Q15761 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
SCHEMBL14330501 0.92 KDM4E (0.37) KDM4EATML3MBTL1ALDH1A1TSHR
SCHEMBL14330534 0.92 TOP1 (0.34) KDM4EATML3MBTL1ALDH1A1TSHR
SCHEMBL14329584 0.92 KDM4E (0.42) KDM4EATML3MBTL1ALDH1A1TSHR
SCHEMBL14330504 0.87 ALDH1A1 (0.33) KDM4EATML3MBTL1ALDH1A1TSHR
SCHEMBL14329605 0.85 KDM4E (0.41) KDM4EATML3MBTL1ALDH1A1TSHR
SCHEMBL14330536 0.84 KDM4E (0.35) KDM4EATML3MBTL1ALDH1A1NPY5R
SCHEMBL16483721 0.84 ALK (0.31) —
SCHEMBL14330519 0.84 ESR1 (0.44) ALDH1A1TSHRCYP2C19TOP1
SCHEMBL14330515 0.84 ALDH1A1 (0.33) KDM4EATML3MBTL1ALDH1A1TSHR
SCHEMBL14330575 0.83 CDK4 (0.35) KDM4EATML3MBTL1NPY5R

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-8623521-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-01-07 — — US disclosed
US-8623521-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-01-07 — — US disclosed
US-20120326134-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-20120326134-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-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND DDT, DRD1, HTR3D KDM4E 3157/4885ATM 2677/4885L3MBTL1 1328/4885

“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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