SCHEMBL5453259

SCHEMBL5453259

Cc1c(Cc2ccccc2)c(N2CC[C@H](N(C)C)C2)n2nc(C(C)(C)C)nc2c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPK1 P28482 1/20 0.37
MCL1 Q07820 1/20 0.37
MAPK8 P45983 2/20 0.36
BTK Q06187 2/20 0.36
MRGPRX2 Q96LB1 2/20 0.36
MAPK10 P53779 1/20 0.36
ATM Q13315 1/20 0.34
NAPEPLD Q6IQ20 1/20 0.34
CHRM1 P11229 2/20 0.34
HRH1 P35367 2/20 0.34
KCNH2 Q12809 2/20 0.34
CNR2 P34972 1/20 0.34
KHK P50053 1/20 0.34
HTR6 P50406 3/20 0.33
HTR1D P28221 2/20 0.33
HTR3A P46098 2/20 0.33
TMEM97 Q5BJF2 2/20 0.33
MAOB P27338 1/20 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 0.91 MAPK8 (0.36) MAPK8BTKMRGPRX2MAPK10NAPEPLD
SCHEMBL5439996 0.85 MAPK8 (0.42) KDM4EMAPK1MAPK8BTKMRGPRX2
SCHEMBL5446949 0.84 HPGD (0.32) KDM4EHRH1CYP3A4EGLN2HRH4
SCHEMBL5451388 0.83 MAPK8 (0.38) KDM4EMAPK8BTKMRGPRX2MAPK10
SCHEMBL5453256 0.83 KDM4E (0.39) KDM4EHSP90AA1MAPK1MCL1ATM
SCHEMBL5444607 0.79 KDM1A (0.41) KDM4EHSP90AA1MAPK1MCL1KCNH2
SCHEMBL5459935 0.79 HPGD (0.41) KDM4EMAPK8BTKMRGPRX2MAPK10
SCHEMBL5447275 0.79 EGLN2 (0.36) KDM4EMAPK8BTKMRGPRX2MAPK10
SCHEMBL5444673 0.78 MAPK8 (0.39) MAPK8BTKMRGPRX2MAPK10KHK
SCHEMBL5447371 0.78 MAPK8 (0.36) KDM4EMAPK8BTKMRGPRX2MAPK10

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 KDM4E 3019/4885HSP90AA1 705/4885MAPK1 151/4885

“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.