SCHEMBL5455768

SCHEMBL5455768

Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)n2nc(C(C)(C)COCc3ccc(F)cc3)nc2c1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK8 P45983 2/20 0.34
BTK Q06187 2/20 0.34
MRGPRX2 Q96LB1 2/20 0.34
MAPK10 P53779 1/20 0.34
HRH1 P35367 4/20 0.33
KCNH2 Q12809 3/20 0.33
CYP2D6 P10635 1/20 0.33
KHK P50053 1/20 0.32
CHRM1 P11229 2/20 0.32
MCHR1 Q99705 1/20 0.32
HTR1D P28221 2/20 0.32
HTR3A P46098 2/20 0.32
HTR6 P50406 2/20 0.32
TMEM97 Q5BJF2 2/20 0.32

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
SCHEMBL5447371 0.95 MAPK8 (0.36) KDM4EMAPK8BTKMRGPRX2MAPK10
SCHEMBL5455766 0.86 KDM4E (0.32) KDM4EALDH1A1HPGDTRPC3TRPC7
SCHEMBL5444673 0.84 MAPK8 (0.39) MAPK8BTKMRGPRX2MAPK10KHK
SCHEMBL5459935 0.84 HPGD (0.41) KDM4EALDH1A1CYP3A4HPGDTSHR
SCHEMBL5439996 0.83 MAPK8 (0.42) KDM4EALDH1A1HPGDMAPK8BTK
SCHEMBL5446933 0.82 MAPK8 (0.40) KDM4EMAPK8BTKMRGPRX2MAPK10
SCHEMBL5450157 0.81 MAPK8 (0.40) ALDH1A1MAPK8BTKMRGPRX2MAPK10
SCHEMBL5447367 0.81 AADAT (0.33) KDM4EALDH1A1
SCHEMBL5441232 0.81 KDM4E (0.37) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL5450290 0.80 MAPK8 (0.37) MAPK8BTKMRGPRX2MAPK10HRH1

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 3019/4885ALDH1A1 1357/4885CYP3A4 175/4885

“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.