SCHEMBL23012299

SCHEMBL23012299

COC(=O)c1cc(-c2nc3cc(N)ccc3o2)ccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 16/20 0.69
▸ MAPT P10636 13/20 0.69
▸ SMN1; SMN2 Q16637 11/20 0.69
▸ TP53 P04637 8/20 0.69
▸ PIK3CB P42338 1/20 0.56
▸ NPC1 O15118 15/20 0.53
▸ GFER P55789 3/20 0.53
▸ RXFP1 Q9HBX9 2/20 0.53
▸ KDM4E B2RXH2 10/20 0.52
▸ ALDH1A1 P00352 8/20 0.52
▸ HSD17B10 Q99714 5/20 0.52
▸ NFKB1 P19838 3/20 0.52
▸ NFKB2 Q00653 3/20 0.52
▸ RELA Q04206 3/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ HPGD P15428 4/20 0.47
▸ POLB P06746 1/20 0.47

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
SCHEMBL28701725 0.86 HDAC6 (0.54) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL28698102 0.86 MAPT (0.50) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL29479691 0.86 HDAC6 (0.54) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL23033654 0.84 MAPT (0.54) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL23034143 0.83 MAPT (0.71) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL12942543 0.81 RAB9A (1.00) RAB9AMAPTSMN1; SMN2TP53PIK3CB
SCHEMBL23012747 0.81 MAPT (0.46) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL29479793 0.81 KMT2A (0.48) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL28695332 0.81 KMT2A (0.48) RAB9AMAPTSMN1; SMN2TP53NPC1
SCHEMBL29479781 0.81 MAPT (0.46) RAB9AMAPTSMN1; SMN2TP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092768-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-03-21 — — US disclosed
US-20240043416-A1 SALT AND CRYSTAL FORM OF HA INHIBITOR COMPOUND SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-02-08 — — US disclosed
EP-4289826-A1 SALT AND CRYSTAL FORM OF HA INHIBITOR COMPOUND Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-12-13 — — EP disclosed
EP-4282860-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-11-29 — — EP disclosed
CN-116761605-A Salts and crystalline forms of HA inhibitor compounds 四川海思科制药有限公司 2023-09-15 — — CN disclosed
CN-116670132-A Crystal form of anti-influenza virus compound, preparation method and application thereof 四川海思科制药有限公司 2023-08-29 — — CN disclosed
WO-2022156737-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM 四川海思科制药有限公司 2022-07-28 — — WO disclosed
WO-2022156737-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM 四川海思科制药有限公司 2022-07-28 — — WO disclosed
CN-114269725-A Anti-influenza virus compound and preparation method and application thereof 四川海思科制药有限公司 2022-04-01 — — CN disclosed
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 — — WO disclosed
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 — — 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 (2 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-20240092768-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM ZC3HAV1, ZC3HAV1L, FMNL1 RAB9A 1552/4885MAPT 1387/4885SMN1; SMN2 4781/4885
US-20240043416-A1 SALT AND CRYSTAL FORM OF HA INHIBITOR COMPOUND MMP11, MMP1, MMP2 RAB9A 1816/4885MAPT 2436/4885SMN1; SMN2 4860/4885

“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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