SCHEMBL21979412

SCHEMBL21979412

Clc1ncc(Br)c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.44
▸ HSP90AA1 P07900 8/20 0.44
▸ MAPT P10636 7/20 0.44
▸ HTT P42858 7/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ SMN1; SMN2 Q16637 6/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ TDP1 Q9NUW8 5/20 0.44
▸ TP53 P04637 5/20 0.44
▸ USP2 O75604 2/20 0.44
▸ APAF1 O14727 1/20 0.44
▸ TDP2 O95551 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ LMNA P02545 6/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ METAP2 P50579 2/20 0.42

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
SCHEMBL30603031 1.00 KDM4E (0.44) KDM4EHSP90AA1MAPTHTTALDH1A1
SCHEMBL3381245 0.85 KDM4E (0.49) KDM4EHSP90AA1MAPTHTTALDH1A1
SCHEMBL31266449 0.77 KMT2A (0.53) KDM4EHSP90AA1MAPTHTTALDH1A1
SCHEMBL9189341 0.77 KDM4E (0.49) KDM4EHSP90AA1MAPTHTTALDH1A1
SCHEMBL1396177 0.75 PLAU (0.47) KDM4EMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL10159159 0.74 KDM4E (0.61) KDM4EHSP90AA1MAPTHTTALDH1A1
SCHEMBL29980123 0.74 KDM4E (0.61) KDM4EHSP90AA1MAPTHTTALDH1A1
SCHEMBL12070663 0.73 TOP1 (0.42) KDM4EHSP90AA1MAPTHTTALDH1A1
SCHEMBL26627513 0.73 NSD2 (0.45) KDM4EHSP90AA1MAPTHTTALDH1A1
SCHEMBL196848 0.73 KMT2A (0.68) KDM4EHSP90AA1MAPTHTTALDH1A1

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 12 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
US-20240116926-A1 HETEROAROMATIC COMPOUNDS ASTRAZENECA AB (SE) 2024-04-11 — — US disclosed
CN-112969504-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-04-09 — — CN disclosed
WO-2023209090-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AND THEIR APPLICATION IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-11-02 — — WO disclosed
WO-2023209090-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AND THEIR APPLICATION IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-11-02 — — WO disclosed
WO-2023209086-A1 BICYCLIC HETEROAROMATIC COMPOUNDS FOR TREATING CANCER ASTRAZENECA AB (SE) 2023-11-02 — — WO disclosed
WO-2023209086-A1 BICYCLIC HETEROAROMATIC COMPOUNDS FOR TREATING CANCER ASTRAZENECA AB (SE) 2023-11-02 — — WO 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
EP-3873605-A1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-09-08 — — EP 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

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-20240116926-A1 HETEROAROMATIC COMPOUNDS CYP1B1, CYP2D6, CYP1A1 KDM4E 2712/4885HSP90AA1 2146/4885MAPT 2845/4885
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 KDM4E 1442/4885HSP90AA1 1344/4885MAPT 3224/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 KDM4E 1209/4885HSP90AA1 1972/4885MAPT 3196/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 KDM4E 1442/4885HSP90AA1 1344/4885MAPT 3224/4885

“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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