SCHEMBL23993917

SCHEMBL23993917

CN(Cc1ccccc1)c1cc(Cl)nn2ccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ APOBEC3A P31941 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ METAP2 P50579 1/20 0.37
▸ METAP1 P53582 1/20 0.37
▸ CDC7 O00311 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ HIPK2 Q9H2X6 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36

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
SCHEMBL3010219 0.78 CYP19A1 (0.39) ALDH1A1APOBEC3AMEN1KMT2ALMNA
SCHEMBL31601801 0.77 ALDH1A1 (0.42) ALDH1A1APOBEC3ANPC1RAB9AMEN1
SCHEMBL23994765 0.75 ADCY10 (0.38) ALDH1A1APOBEC3AMEN1KMT2AKDM4E
SCHEMBL31528267 0.75 LMNA (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL23994251 0.73 IP6K1 (0.39) ALDH1A1APOBEC3ACDC7ROCK2PIM1
SCHEMBL3700079 0.73 AKT1 (0.42) MAPTMAPK1L3MBTL1
SCHEMBL23993129 0.73 SYK (0.38) ALDH1A1APOBEC3ASMN1; SMN2NPC1RAB9A
SCHEMBL23993861 0.72 BACE1 (0.44) JAK2JAK3KDM4EMAPTBRD4
SCHEMBL14935003 0.72 SYK (0.42) ALDH1A1APOBEC3ALMNAMAPTSYK
SCHEMBL23993924 0.71 L3MBTL1 (0.40) ALDH1A1APOBEC3ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12110294-B2 CD73 compounds GILEAD SCIENCES, INC. (US) 2024-10-08 — — US disclosed
US-20240043427-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2024-02-08 — — US disclosed
EP-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 — — EP disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
CN-115698009-A CD73 inhibiting 2,4-dioxopyrimidine compounds 吉利德科学公司 2023-02-03 — — CN disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — WO disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — WO 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E ALDH1A1 347/4885APOBEC3A 356/4885SMN1; SMN2 3774/4885
US-20240043427-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E ALDH1A1 347/4885APOBEC3A 356/4885SMN1; SMN2 3774/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E ALDH1A1 138/4885APOBEC3A 506/4885SMN1; SMN2 3453/4885

“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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