SCHEMBL25823761

SCHEMBL25823761

Nc1nc2ccc(-c3cc[nH]n3)cc2n2ccnc12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.38
MAPK8 P45983 3/20 0.34
SYK P43405 2/20 0.32
TNK2 Q07912 2/20 0.32
ADORA2A P29274 4/20 0.32
ADORA1 P30542 3/20 0.32
GRIA1 P42261 1/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL25822678 0.72 MAPKAPK5 (0.52) SYK
SCHEMBL24832406 0.70 MAPK8 (0.44) IKBKBMAPK8SYK
SCHEMBL169235 0.70 MAPK8 (0.54) MAPK8ADORA2AADORA1
SCHEMBL31746758 0.70 MAPK8 (0.54) MAPK8ADORA2AADORA1
SCHEMBL24541113 0.69 MAPK8 (0.57) IKBKBMAPK8
SCHEMBL24541135 0.68 MAPK8 (0.47) IKBKBMAPK8
SCHEMBL29138850 0.65 IKBKB (0.36) IKBKBMAPK8ADORA2AGRIA1
SCHEMBL31329391 0.65 NPC1 (0.62) ADORA1
SCHEMBL23037694 0.64 DHFR (0.36) SYK
SCHEMBL2531557 0.63 DYRK1A (0.46)

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-20230219960-A1 1H-PYRAZOLE DERIVATIVE AND APPLICATION THEREOF AS DUAL TARGET INHIBITOR OF SYK AND VEGFR2 OCUMENSION THERAPEUTICS (SUZHOU) CO., LTD. (CN) 2023-07-13 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-20230219960-A1 1H-PYRAZOLE DERIVATIVE AND APPLICATION THEREOF AS DUAL TARGET INHIBITOR OF SYK AND VEGFR2 SYK, KDR, FLT1 IKBKB 275/4885MAPK8 637/4885SYK 1/4885

“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.