SCHEMBL21979362

SCHEMBL21979362

Cn1ncc2c(Br)ccc(Br)c21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PI4KA P42356 1/20 0.33
▸ PI4K2B Q8TCG2 1/20 0.33
▸ PI4K2A Q9BTU6 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ TP53 P04637 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 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
SCHEMBL30901316 1.00 HTT (0.36) HTTMAPK1LMNAHPGDALDH1A1
SCHEMBL29303426 0.86 LMNA (0.33) HTTMAPK1LMNAHPGDALDH1A1
SCHEMBL31178973 0.86 AXL (0.43) HTTMAPK1LMNAHPGDALDH1A1
SCHEMBL15995781 0.84 KDM4E (0.34) HTTMAPK1LMNAHPGDALDH1A1
SCHEMBL22717640 0.84 SCN9A (0.37) HTTMAPK1LMNAHPGDALDH1A1
SCHEMBL24525102 0.84 F2RL1 (0.45) HTTMAPK1LMNAHPGDALDH1A1
SCHEMBL29654702 0.84 F2RL1 (0.45) HTTMAPK1LMNAHPGDALDH1A1
SCHEMBL16722619 0.84 F2RL1 (0.39) HTTMAPK1LMNAHPGDALDH1A1
SCHEMBL31156165 0.84 SCN9A (0.37) HTTMAPK1LMNAHPGDALDH1A1
SCHEMBL27227820 0.81 HTT (0.44) HTTHPGDALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873605-B1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES INC (US) 2024-10-23 — — EP disclosed
CN-112969504-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-04-09 — — CN disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 — — US disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 — — US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 — — US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 — — US disclosed
CN-112969504-A Compounds for inhibiting alpha 4 beta 7 integrins 吉利德科学公司 2021-06-15 — — CN disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 — — US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 — — 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 (3 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 HTT 4776/4885MAPK1 415/4885LMNA 2479/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 HTT 4662/4885MAPK1 941/4885LMNA 3437/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 HTT 4776/4885MAPK1 415/4885LMNA 2479/4885

“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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