SCHEMBL17405244

SCHEMBL17405244

c1ccc2c(c1)sc1c2c2c3ccccc3n3c4ccccc4c4ccccc4n4c5ccccc5c1c4c23

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.39
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
MAPT P10636 3/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 2/20 0.33
TP53 P04637 2/20 0.33
PTPN1 P18031 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
MAP3K9 P80192 1/20 0.33
MAP3K11 Q16584 1/20 0.33
HPGD P15428 2/20 0.33
CDK5 Q00535 2/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL16275329 0.80 ATM (0.39) TNKSTNKS2MAPTKDM4EMEN1
SCHEMBL21570098 0.79 KDM4E (0.43) GPR3MAPTKDM4EMEN1KMT2A
SCHEMBL17405873 0.79 ATM (0.47) GPR3TNKSTNKS2MAPTKDM4E
SCHEMBL17405408 0.78 ATM (0.46) GPR3TNKSTNKS2MAPTKDM4E
SCHEMBL16867206 0.77 MAPT (0.51) GPR3TNKSTNKS2MAPTKDM4E
SCHEMBL19978064 0.76 TNKS (0.36) GPR3TNKSTNKS2MAPTRAB9A
SCHEMBL17405848 0.76 ATM (0.47) GPR3TNKSTNKS2MAPTKDM4E
SCHEMBL18435661 0.76 TNKS (0.39) GPR3TNKSTNKS2MAPTRAB9A
SCHEMBL19978067 0.76 TNKS (0.39) GPR3TNKSTNKS2MAPTRAB9A
SCHEMBL16275589 0.76 ATM (0.47) GPR3TNKSTNKS2MAPTKDM4E

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-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 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-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE ODC1, NOTUM, OR10J3 GPR3 4592/4885TNKS 3548/4885TNKS2 3646/4885

“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.