SCHEMBL5459935

SCHEMBL5459935

Cc1c(-c2ccc(F)cc2)c(N2CC[C@H](N(C)C)C2)n2nc(C(C)(C)C)nc2c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EGLN2 Q96KS0 1/20 0.36
KDM1A O60341 6/20 0.36
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NCOA1 Q15788 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
BCL6 P41182 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
BTK Q06187 1/20 0.33
MRGPRX2 Q96LB1 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL5447275 0.91 EGLN2 (0.36) HPGDKDM4EALDH1A1CYP3A4TSHR
SCHEMBL5439996 0.91 MAPK8 (0.42) HPGDKDM4EALDH1A1EGLN2LMNA
SCHEMBL5451084 0.88 EGLN2 (0.34) HPGDKDM4EALDH1A1CYP3A4TSHR
SCHEMBL5450212 0.85 MAPK8 (0.37) EGLN2KDM1ABCL6MAPK8MAPK10
SCHEMBL5455768 0.84 KDM4E (0.35) HPGDKDM4EALDH1A1CYP3A4TSHR
SCHEMBL5450157 0.83 MAPK8 (0.40) ALDH1A1EGLN2SMN1; SMN2BCL6MAPK8
SCHEMBL5459933 0.83 HPGD (0.35) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL5444673 0.82 MAPK8 (0.39) EGLN2LMNABCL6MAPK8MAPK10
SCHEMBL5447461 0.82 WDR5 (0.36) ALDH1A1EGLN2BCL6MAPK8MAPK10
SCHEMBL5446239 0.80 MAPK8 (0.38) BCL6MAPK8MAPK10BTKMRGPRX2

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 1 patent. 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

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 HPGD 1448/4885KDM4E 3019/4885ALDH1A1 1357/4885

“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.