SCHEMBL19978243

SCHEMBL19978243

CC1=Nc2c(cnc3ccccc23)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 2/20 0.34
TLR7 Q9NYK1 1/20 0.34
TOP2A P11388 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
GRM4 Q14833 2/20 0.33
ERN1 O75460 1/20 0.33
TGFBR1 P36897 1/20 0.32
MAPK14 Q16539 1/20 0.32
PDPK1 O15530 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL19978239 0.79 MAPT (0.47) KDM4EMEN1KMT2ACYP1A2ERN1
SCHEMBL4856328 0.72 MEN1 (0.56) KDM4EMEN1KMT2ACYP1A2ALDH1A1
Iodide SCHEMBL29763642 0.71 MEN1 (0.54) KDM4EMEN1KMT2ACYP1A2ALDH1A1
SCHEMBL10111830 0.70 MEN1 (0.38) MEN1KMT2ACYP1A2ALDH1A1MAPT
SCHEMBL28795459 0.67 KMT2A (0.49) KDM4EMEN1KMT2ACYP1A2ALDH1A1
SCHEMBL28705484 0.67 NCOA3 (0.38) KDM4EMEN1KMT2ACYP1A2ALDH1A1
SCHEMBL21235344 0.66 NFATC1 (0.39) GPR3KDM4ECYP1A2GRM4TGFBR1
SCHEMBL4255042 0.65 MPL (0.40) MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL17971386 0.64 KDM4E (0.40) GPR3KDM4ETLR7TOP2AERN1
SCHEMBL10111810 0.64 LPL (0.33) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040326-A1 AZACYANINE DYES AND USE THEREOF ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2021-02-11 US disclosed
US-10633542-B2 Azacyanine dyes and use thereof Ecole polytechnique fédérale de Lausanne (EPFL) (CH) 2020-04-28 US disclosed
WO-2019180475-A1 AZACYANINE DYES AND USE THEREOF ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2019-09-26 WO disclosed
US-20190292371-A1 AZACYANINE DYES AND USE THEREOF INTRACE MEDICAL SA (CH) 2019-09-26 US disclosed
US-20180079906-A1 AZACYANINE DYES AND USE THEREOF Ecole polytechnique fédérale de Lausanne (EPFL) (CH) 2018-03-22 US disclosed
US-20180079906-A1 AZACYANINE DYES AND USE THEREOF Ecole polytechnique fédérale de Lausanne (EPFL) (CH) 2018-03-22 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 (4 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-20210040326-A1 AZACYANINE DYES AND USE THEREOF INMT, AZI2, MYADM GPR3 1105/4885KDM4E 783/4885MEN1 541/4885
US-20190292371-A1 AZACYANINE DYES AND USE THEREOF INMT, AZI2, MYADM GPR3 1105/4885KDM4E 783/4885MEN1 541/4885
US-10633542-B2 Azacyanine dyes and use thereof INMT, AZI2, MYADM GPR3 1105/4885KDM4E 783/4885MEN1 541/4885
US-20180079906-A1 AZACYANINE DYES AND USE THEREOF INMT, AZI2, MYADM GPR3 1105/4885KDM4E 783/4885MEN1 541/4885

“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.