SCHEMBL17345860

SCHEMBL17345860

CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)cc(-c5ccc(-c6cccc(-c7ccccc7)c6)cc5)n4)c3cc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAMK2D Q13557 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ FLT3 P36888 2/20 0.31
▸ MAPT P10636 5/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ACACA Q13085 1/20 0.31
▸ MEN1 O00255 3/20 0.30
▸ KMT2A Q03164 3/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ HPGD P15428 2/20 0.30
▸ HTT P42858 1/20 0.30
▸ LMNA P02545 2/20 0.30
▸ GLA P06280 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ MAPK10 P53779 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
SCHEMBL18505384 0.98 CAMK2D (0.32) CAMK2DMAPTMAPK1NPSR1L3MBTL1
SCHEMBL10039222 0.97 CAMK2D (0.32) CAMK2DPDK2
SCHEMBL16978573 0.97 MAPT (0.33) PDK2FLT3MAPTMAPK1NPSR1
SCHEMBL19104499 0.97 MAPT (0.33) PDK2FLT3MAPTMAPK1NPSR1
SCHEMBL16978582 0.97 MAPT (0.33) PDK2FLT3MAPTMAPK1NPSR1
SCHEMBL783565 0.95 MAPT (0.34) MAPTMAPK1NPSR1L3MBTL1KDM4E
SCHEMBL18505534 0.94 CAMK2D (0.32) CAMK2DMAPTMAPK1NPSR1L3MBTL1
SCHEMBL16406803 0.94 KDM4E (0.35) PDK2FLT3MAPTMAPK1NPSR1
SCHEMBL2603593 0.93 CAMK2D (0.32) CAMK2DPDK2
SCHEMBL15625655 0.93 MAPT (0.33) PDK2FLT3MAPTMAPK1NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170200904-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-07-13 — — US disclosed
US-20170200904-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-07-13 — — US disclosed
WO-2015190789-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-12-17 — — WO 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-20170200904-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TERT, ODC1, ESD CAMK2D 3950/4885PDK2 1642/4885FLT3 4625/4885

“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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