SCHEMBL22601495

SCHEMBL22601495

Cc1cnn(C(N)=O)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
TSHR P16473 1/20 0.37
PDPK1 O15530 1/20 0.37
ALOX15 P16050 1/20 0.36
MAPK14 Q16539 2/20 0.35
IKBKE Q14164 2/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
CSNK1A1 P48729 1/20 0.35
GSK3A P49840 1/20 0.35
LIMK1 P53667 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL29078400 0.81 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4PDPK1
SCHEMBL22601408 0.79 GRIA1 (0.34) GRIA1GRIA2GRIA3GRIA4PDPK1
SCHEMBL24500533 0.78 PDPK1 (0.35) TSHRPDPK1MAPK14IKBKECHEK1
SCHEMBL22601406 0.75 PDPK1 (0.34) PDPK1MAPK14IKBKECHEK1AURKA
SCHEMBL25293645 0.74 ELANE (0.43) GRIA1GRIA2GRIA3GRIA4TSHR
SCHEMBL534347 0.73 RIPK2 (0.42) TSHRMAPK14KMT2AHPGDTDP1
SCHEMBL24499991 0.69 HPGD (0.32) PDPK1KMT2AHPGD
SCHEMBL2067300 0.66
SCHEMBL22083528 0.65 IKBKE (0.41) GRIA1GRIA2GRIA3GRIA4MAPK14
SCHEMBL11312956 0.65

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
WO-2020216327-A1 DERIVATIVES OF GLYCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2020-10-29 WO disclosed
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2016-10-20 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-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY PYGM, TNNC1, MUSK GRIA1 2600/4885GRIA2 2312/4885GRIA3 2225/4885

“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.