SCHEMBL2604835

SCHEMBL2604835

Cc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
PIK3CD O00329 2/20 0.49
PIK3CA P42336 2/20 0.49
MTOR P42345 2/20 0.49
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.42
PDE10A Q9Y233 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK10 P53779 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
GRIA1 P42261 1/20 0.39
CACNG8 Q8WXS5 1/20 0.39

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
SCHEMBL14499566 0.97 MAPK1 (0.55) MAPK1HTTPIK3CDPIK3CAMTOR
SCHEMBL338222 0.96 MAPK1 (0.56) MAPK1HTTPIK3CDPIK3CAMTOR
SCHEMBL14499560 0.94 MAPK1 (0.51) MAPK1HTTPIK3CDPIK3CAMTOR
SCHEMBL10353566 0.94 MAPK1 (0.51) MAPK1HTTPIK3CDPIK3CAMTOR
SCHEMBL23022724 0.93 MAPK1 (0.51) MAPK1HTTPIK3CDPIK3CAMTOR
SCHEMBL14499567 0.91 MAPK1 (0.50) MAPK1HTTPIK3CDPIK3CAMTOR
SCHEMBL21392590 0.89 ESR1 (0.47) MAPK1HTTPIK3CDPIK3CAMTOR
SCHEMBL21392679 0.89 MAPK1 (0.44) MAPK1HTTPIK3CDPIK3CAMTOR
SCHEMBL14499589 0.89 ALDH1A1 (0.53) MAPK1HTTPIK3CDPIK3CAMTOR
SCHEMBL14499579 0.89 ALDH1A1 (0.53) MAPK1HTTPIK3CDPIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11877509-B2 Organic light-emitting element LG CHEM, LTD. 2024-01-16 US disclosed
US-11877509-B2 Organic light-emitting element LG CHEM, LTD. 2024-01-16 US disclosed
US-20190296238-A1 Organic Light-emitting Element LG CHEM, LTD. (KR) 2019-09-26 US disclosed
US-20120091438-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-04-19 US disclosed
US-20120091438-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-04-19 US disclosed
US-20120074395-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-03-29 US disclosed
US-20120074395-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-03-29 US disclosed
US-20070138950-A1 NITROGENOUS HETEROCYCLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-06-21 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 (3 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-20190296238-A1 Organic Light-emitting Element CRY1, CRY2, NR2E3 MAPK1 4606/4885HTT 2428/4885PIK3CD 4795/4885
US-11877509-B2 Organic light-emitting element CRY1, CRY2, NR2E3 MAPK1 4606/4885HTT 2428/4885PIK3CD 4795/4885
US-20070138950-A1 NITROGENOUS HETEROCYCLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME EHD1, HCN2, ODC1 MAPK1 1605/4885HTT 2253/4885PIK3CD 1266/4885

“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.