SCHEMBL1680962

SCHEMBL1680962

Nc1nccc(NCc2cnccn2)c1C(=O)NCc1ccc(Oc2ccccc2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.39
VNN1 O95497 1/20 0.39
TSHR P16473 1/20 0.38
CYP2C9 P11712 1/20 0.38
NAMPT P43490 1/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
PIK3CA P42336 1/20 0.36
HPGDS O60760 1/20 0.35
KDM4C Q9H3R0 2/20 0.35
KCNK3 O14649 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL1680965 0.83 MAP4K4 (0.40) MAPK14VNN1TSHRCYP2C9NAMPT
SCHEMBL1681318 0.81 MAPK14 (0.35) MAPK14TDP1HDAC3HDAC1LMNA
SCHEMBL1681150 0.81 KDM5A (0.41) ADORA3ADORA2AADORA2BADORA1KDM4C
SCHEMBL1680873 0.80 POLB (0.42) MAPK14ADORA2AADORA2BALDH1A1TDP1
SCHEMBL1680813 0.80 BTK (0.37) MAPK14TDP1LMNACYP3A4HTT
SCHEMBL1681051 0.78 ATR (0.46) MAPK14KMT2ATDP1LMNACYP3A4
SCHEMBL1680415 0.75 MAPK8 (0.52) MAPK14ALDH1A1
SCHEMBL1681128 0.73 PIK3CD (0.44) MAPK14ALDH1A1TDP1LMNACYP3A4
SCHEMBL5697501 0.73 MAPK14 (0.40) MAPK14CYP3A4
SCHEMBL1680533 0.73 MAPK14 (0.48) MAPK14ADORA2AADORA1ALDH1A1MEN1

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-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 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-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 MAPK14 3031/4885VNN1 975/4885TSHR 3952/4885

“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.