SCHEMBL5577376

SCHEMBL5577376

Cc1c(Cl)cccc1C(=O)NCc1cccnc1N1CCN(Cc2ccc(F)cc2)CC1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.43
MT-CO2 P00403 2/20 0.43
TP53 P04637 1/20 0.42
P2RX7 Q99572 4/20 0.40
NR3C1 P04150 1/20 0.39
CCR1 P32246 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTR2C P28335 1/20 0.38
MCHR1 Q99705 1/20 0.38
CXCR3 P49682 3/20 0.38

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
SCHEMBL5577419 0.88 LMNA (0.43) MAPK8TP53KMT2AMEN1
SCHEMBL5577688 0.87 MT-CO2 (0.48) MT-CO2TP53NR3C1CCR1
SCHEMBL5577752 0.87 MT-CO2 (0.47) MAPK8MT-CO2TP53NR3C1KMT2A
SCHEMBL5577671 0.86 MT-CO2 (0.43) MT-CO2P2RX7CCR1KMT2AMEN1
SCHEMBL5577669 0.85 CXCR3 (0.50) CCR1KMT2AMEN1HTR2CMCHR1
SCHEMBL5577919 0.84 MT-CO2 (0.52) MT-CO2TP53CCR1KMT2AMEN1
SCHEMBL5577589 0.84 MT-CO2 (0.43) MAPK8MT-CO2TP53P2RX7NR3C1
SCHEMBL5577911 0.84 MT-CO2 (0.45) MT-CO2P2RX7CCR1KMT2ACXCR3
SCHEMBL5577599 0.84 P2RX7 (0.46) MAPK8MT-CO2TP53P2RX7
SCHEMBL5577773 0.83 MT-CO2 (0.45) MAPK8MT-CO2TP53P2RX7NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C MAPK8 563/4885MT-CO2 2047/4885TP53 397/4885

“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.