SCHEMBL5451388

SCHEMBL5451388

CCc1c(-c2ccccc2)c(C#N)c2nc(C(C)(C)C)nn2c1N1CC[C@H](N(C)C)C1

nearest known ligand 0.38

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 0.37
HTR3A P46098 2/20 0.37
HTR6 P50406 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR1B P28222 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ADRA1B P35368 1/20 0.37
KDM4E B2RXH2 1/20 0.36
EGLN2 Q96KS0 1/20 0.34
DNMT1 P26358 1/20 0.34
MCHR1 Q99705 2/20 0.34
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 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
SCHEMBL5460511 0.89 MAPK8 (0.36) MAPK8BTKMRGPRX2MAPK10HTR1D
SCHEMBL5439996 0.87 MAPK8 (0.42) MAPK8BTKMRGPRX2MAPK10HTR1D
SCHEMBL5451380 0.84 KDM4E (0.37) KDM4EDNMT1HDAC3HDAC4HDAC1
SCHEMBL5453259 0.83 KDM4E (0.37) MAPK8BTKMRGPRX2MAPK10HTR1D
SCHEMBL5444673 0.80 MAPK8 (0.39) MAPK8BTKMRGPRX2MAPK10HTR1D
SCHEMBL5446949 0.79 HPGD (0.32) KDM4EEGLN2HRH1HRH4HRH3
SCHEMBL5452911 0.79 MAPK8 (0.42) MAPK8BTKMRGPRX2MAPK10HTR1D
SCHEMBL5450157 0.79 MAPK8 (0.40) MAPK8BTKMRGPRX2MAPK10HTR1D
SCHEMBL5459935 0.79 HPGD (0.41) MAPK8BTKMRGPRX2MAPK10KDM4E
SCHEMBL5447275 0.79 EGLN2 (0.36) MAPK8BTKMRGPRX2MAPK10KDM4E

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.