SCHEMBL5453316

SCHEMBL5453316

CCCCc1c(C)c(C#N)c2nc(C(C)C)nn2c1N1CC[C@H](N(C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KHK P50053 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL5445127 0.88 HPGD (0.34) HPGDKMT2AMAPTHTTRAB9A
SCHEMBL5455618 0.88 HPGD (0.33) HPGDKMT2AMAPTHTTRAB9A
SCHEMBL5446949 0.85 HPGD (0.32) HPGDKMT2AMAPTHTTRAB9A
SCHEMBL5443991 0.82 MAPK8 (0.40) HPGDKMT2AMAPTHTTRAB9A
SCHEMBL5453313 0.82 TSHR (0.33) HPGDKMT2AMAPTHTTRAB9A
SCHEMBL5440177 0.82 HPGD (0.35) HPGDKMT2AMAPTHTTRAB9A
SCHEMBL5451003 0.80 HRH3 (0.38) HPGDKMT2AMAPTHTTRAB9A
SCHEMBL5444089 0.79 MAPK8 (0.42) HPGDKHKKDM4EALDH1A1EGLN2
SCHEMBL5441177 0.79 ADORA3 (0.40) HPGDKMT2AMAPTHTTRAB9A
SCHEMBL5446923 0.77 KDM1A (0.41) HPGDKMT2AMAPTHTTRAB9A

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 HPGD 1448/4885KMT2A 3653/4885MAPT 1405/4885

“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.