SCHEMBL5442811

SCHEMBL5442811

Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)n2cc(C(C)(C)C)nc2c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.38
BTK Q06187 2/20 0.38
MRGPRX2 Q96LB1 2/20 0.38
MAPK10 P53779 1/20 0.38
HTR1D P28221 2/20 0.36
HTR3A P46098 2/20 0.36
HTR6 P50406 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR1B P28222 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ADRA1B P35368 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL5442813 1.00 MAPK8 (0.38) MAPK8BTKMRGPRX2MAPK10HTR1D
SCHEMBL5446972 0.89 MAPK8 (0.42) MAPK8BTKMRGPRX2MAPK10HTR1D
SCHEMBL5448349 0.89 MAPK8 (0.35) MAPK8BTKMRGPRX2MAPK10HTR1D
SCHEMBL5448346 0.89 MAPK8 (0.35) MAPK8BTKMRGPRX2MAPK10HTR1D
SCHEMBL5442703 0.86 EGFR (0.34) CHEK2MCHR1
SCHEMBL5451444 0.86 CDK4 (0.40) MAPK8BTKMRGPRX2MAPK10HTR1D
SCHEMBL5452775 0.84 CHEK2 (0.33) CHEK2
SCHEMBL5446907 0.84 MCHR1 (0.34) CHEK2MCHR1PDCD1CD274
SCHEMBL5439996 0.84 MAPK8 (0.42) MAPK8BTKMRGPRX2MAPK10HTR1D
SCHEMBL5455817 0.83 USP30 (0.32)

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-20070191395-A1 Heterocyclic compounds having antifungal activity DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1717238-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 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-20070191395-A1 Heterocyclic compounds having antifungal activity ERG28, MANBA, MAN2B1 MAPK8 324/4885BTK 2658/4885MRGPRX2 1765/4885

“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.