SCHEMBL21749948

SCHEMBL21749948

COC(=O)c1c(I)ccnc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
GLA P06280 1/20 0.40
ROCK1 Q13464 2/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 1/20 0.39
KDM6B O15054 1/20 0.38
KDM5C P41229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38
HPGD P15428 3/20 0.37
CFTR P13569 2/20 0.37

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
SCHEMBL27610033 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EGAACA12CA1
SCHEMBL15455330 0.81 CA12 (0.41) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL2014671 0.81 NOS2 (0.47) ALDH1A1KDM4EGAACA12CA1
SCHEMBL21749959 0.81 KDM4E (0.53) ALDH1A1KDM4EGAACA12CA1
SCHEMBL197858 0.81 CA12 (0.46) ALDH1A1KDM4EGAACA12CA1
SCHEMBL1047663 0.79 CA1 (0.40) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL3516266 0.79 CA12 (0.40) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL4231441 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EGAACA12CA1
SCHEMBL31214504 0.79 IKBKB (0.42) ALDH1A1KDM4EGAACA12CA1
SCHEMBL1585518 0.79 ATR (0.43) ALDH1A1KDM4ECA12CA1CA2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11628161-B2 Isoindoline derivative, pharmaceutical composition and use thereof KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2023-04-18 US disclosed
CN-110291065-B Novel isoindoline derivative, pharmaceutical composition and application thereof 康朴生物医药技术(上海)有限公司 2022-08-19 CN disclosed
US-11337964-B2 Isoindoline derivative, pharmaceutical composition and use thereof KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2022-05-24 US disclosed
US-11337964-B2 Isoindoline derivative, pharmaceutical composition and use thereof KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2022-05-24 US disclosed
US-20220152002-A1 ISOINDOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2022-05-19 US disclosed
US-20220152002-A1 ISOINDOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2022-05-19 US disclosed
EP-3590924-B1 NOVEL ISOINDOLINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF KANGPU BIOPHARMACEUTICALS LTD (CN) 2021-10-27 EP disclosed
EP-3590924-B1 NOVEL ISOINDOLINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF KANGPU BIOPHARMACEUTICALS LTD (CN) 2021-10-27 EP disclosed
US-20200061033-A1 NOVEL ISOINDOLINE DERIVATIVE, A PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2020-02-27 US disclosed
US-20200061033-A1 NOVEL ISOINDOLINE DERIVATIVE, A PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2020-02-27 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 (4 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-11337964-B2 Isoindoline derivative, pharmaceutical composition and use thereof PDE4A, PDE4B, PDE4C ALDH1A1 489/4885KDM4E 2116/4885GAA 1625/4885
US-20200061033-A1 NOVEL ISOINDOLINE DERIVATIVE, A PHARMACEUTICAL COMPOSITION AND USE THEREOF PDE4A, PDE4B, PDE4C ALDH1A1 773/4885KDM4E 1972/4885GAA 2025/4885
US-11628161-B2 Isoindoline derivative, pharmaceutical composition and use thereof PDE4A, PDE4B, PDE4C ALDH1A1 489/4885KDM4E 2116/4885GAA 1625/4885
US-20220152002-A1 ISOINDOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDE4A, PDE4B, PDE4C ALDH1A1 509/4885KDM4E 2116/4885GAA 1618/4885

“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.