SCHEMBL21164212

SCHEMBL21164212

C=C/C(=C\N)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ AGXT P21549 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL17779954 0.83 ALDH1A1 (0.50) TGM2ALDH1A1HCAR2CA12CA1
SCHEMBL14864328 0.81 ALDH1A1 (0.44) ALDH1A1HCAR2CA12CA1CA2
SCHEMBL24983868 0.80 TGM2 (0.49) TGM2ALDH1A1HCAR2CA12CA1
SCHEMBL14465543 0.78 ALDH1A1 (0.46) TGM2ALDH1A1HCAR2CA12CA1
SCHEMBL23153523 0.78 ALDH1A1 (0.46) TGM2ALDH1A1HCAR2CA12CA1
SCHEMBL18975255 0.77 TGM2 (0.43) TGM2ALDH1A1HCAR2CA12CA1
SCHEMBL21164210 0.77 ALDH1A1 (0.44) TGM2ALDH1A1HCAR2CA12CA1
SCHEMBL6911171 0.76 TDP1 (0.53) TGM2ALDH1A1HCAR2CA12CA1
SCHEMBL3419185 0.76 ALDH1A1 (0.50) TGM2ALDH1A1HCAR2CA12CA1
SCHEMBL12658032 0.76 ALDH1A1 (0.44) TGM2ALDH1A1HCAR2CA12CA1

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-10350199-B2 3-(1h-pyrrolo[2,3-b]pyridin-2-yl)-1h-indazoles and therapeutic uses thereof SAMUMED, LLC (US) 2019-07-16 — — 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-10350199-B2 3-(1h-pyrrolo[2,3-b]pyridin-2-yl)-1h-indazoles and therapeutic uses thereof WNT1, WNT3, WNT3A TGM2 3006/4885ALDH1A1 825/4885HCAR2 3528/4885

“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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