SCHEMBL18310312

SCHEMBL18310312

c1ccc(N(c2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)c2ccc(-c3cccc4c3[nH]c3ccccc34)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.45
PARP14 Q460N5 11/20 0.44
CDK4 P11802 3/20 0.43
CCND1 P24385 3/20 0.43
HTR2B P41595 1/20 0.42
HTR5A P47898 1/20 0.42
TDO2 P48775 1/20 0.42
BCHE P06276 1/20 0.41

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
SCHEMBL4578609 1.00 KIF11 (0.45) KIF11PARP14CDK4CCND1HTR2B
SCHEMBL4579999 1.00 KIF11 (0.45) KIF11PARP14CDK4CCND1HTR2B
SCHEMBL16382430 0.97 CDK4 (0.47) KIF11PARP14CDK4CCND1HTR2B
SCHEMBL984431 0.97 KIF11 (0.47) KIF11PARP14CDK4CCND1BCHE
SCHEMBL29425587 0.97 KIF11 (0.47) KIF11PARP14CDK4CCND1BCHE
SCHEMBL30435195 0.90 CDK4 (0.42) KIF11PARP14CDK4CCND1HTR2B
SCHEMBL27194803 0.90 TDO2 (0.51) KIF11PARP14CDK4CCND1TDO2
SCHEMBL4580543 0.89 HTR2B (0.47) KIF11PARP14CDK4CCND1HTR2B
SCHEMBL4579947 0.89 PARP14 (0.45) KIF11PARP14HTR2BHTR5ATDO2
SCHEMBL4581416 0.89 PARP14 (0.45) KIF11PARP14HTR2BHTR5ATDO2

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-10600968-B2 Amine compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-03-24 US disclosed
US-20180287062-A1 AMINE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-10-04 US disclosed
US-20160365529-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DIODE DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-15 US disclosed
US-20160365529-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DIODE DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-15 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 (2 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-10600968-B2 Amine compound and organic electroluminescence device including the same PNMT, ODC1, PIEZO1 KIF11 2636/4885PARP14 3277/4885CDK4 3021/4885
US-20180287062-A1 AMINE COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME PNMT, ODC1, PIEZO1 KIF11 2636/4885PARP14 3277/4885CDK4 3021/4885

“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.