SCHEMBL29556997

SCHEMBL29556997

N#CC=C1CNc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NOS2 P35228 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GAA P10253 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ LMNA P02545 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
SCHEMBL31028097 0.82 BRD4 (0.38) POLBMAPTHPGDTDP1NOS2
SCHEMBL15651220 0.76 RPS6KA3 (0.31) —
SCHEMBL15651121 0.76 KDM4E (0.30) MAPTTDP1GAA
SCHEMBL3692772 0.75 NOS2 (0.41) JAK2NOS2ALOX15HSD17B10GAA
SCHEMBL30785015 0.75 NOS2 (0.41) JAK2NOS2ALOX15HSD17B10GAA
SCHEMBL3692774 0.75 NOS2 (0.41) JAK2NOS2ALOX15HSD17B10GAA
SCHEMBL15291319 0.75 JAK2 (0.39) JAK2NOS2ALOX15HSD17B10GAA
SCHEMBL15651319 0.73 PARP1 (0.32) —
SCHEMBL15651321 0.73 PARP1 (0.32) —
SCHEMBL28129799 0.72 MAOB (0.43) JAK2MAPTHPGDHSD17B10LMNA

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-20220098181-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2022-03-31 — — 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-20220098181-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 JAK2 2/4885POLB 1037/4885MAPT 4098/4885

“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.

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