SCHEMBL14330534

SCHEMBL14330534

c1ccc(-c2ccc3ccc4c5c(ccc2c35)cc2c4c3ncccc3n2-c2ccc(-n3c4ccccc4c4ncccc43)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 5/20 0.34
▸ CKS1B P61024 5/20 0.34
▸ SKP2 Q13309 5/20 0.34
▸ GLO1 Q04760 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ COMT P21964 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
SCHEMBL14330492 0.92 KDM4E (0.35) TOP1CKS1BSKP2GLO1ALDH1A1
SCHEMBL14330504 0.88 ALDH1A1 (0.33) TOP1CKS1BSKP2GLO1ALDH1A1
SCHEMBL14330501 0.88 KDM4E (0.37) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL14331585 0.87 TOP1 (0.40) TOP1CKS1BSKP2
SCHEMBL14329583 0.86 ALDH1A1 (0.35) TOP1ALDH1A1TSHRCYP2C19KDM4E
SCHEMBL14329605 0.86 KDM4E (0.41) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL16483721 0.86 ALK (0.31) —
SCHEMBL14331584 0.85 TOP1 (0.40) TOP1CKS1BSKP2GLO1TSHR
SCHEMBL14330519 0.85 ESR1 (0.44) TOP1ALDH1A1TSHRCYP2C19
SCHEMBL14330515 0.85 ALDH1A1 (0.33) TOP1ALDH1A1TSHRCYP2C19KDM4E

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 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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