SCHEMBL14636885

SCHEMBL14636885

O=C(O)[C@@H]1COCCN1C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
PREP P48147 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TMEM97 Q5BJF2 3/20 0.51
SIGMAR1 Q99720 3/20 0.51
KLK7 P49862 2/20 0.49
KLK5 Q9Y337 1/20 0.49
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CTRB1 P17538 1/20 0.46

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
SCHEMBL31536535 1.00 MEN1 (0.59) MEN1KMT2ANPSR1PREPSMN1; SMN2
SCHEMBL2072827 1.00 MEN1 (0.59) MEN1KMT2ANPSR1PREPSMN1; SMN2
SCHEMBL31536575 0.90 MEN1 (0.56) MEN1KMT2ANPSR1PREPSMN1; SMN2
SCHEMBL2072837 0.88 NPSR1 (0.54) MEN1KMT2ANPSR1PREPSMN1; SMN2
SCHEMBL3148090 0.86 MEN1 (0.51) MEN1KMT2ANPSR1PREPSMN1; SMN2
SCHEMBL628051 0.86 MEN1 (0.51) MEN1KMT2ANPSR1PREPSMN1; SMN2
SCHEMBL628052 0.86 MEN1 (0.51) MEN1KMT2ANPSR1PREPSMN1; SMN2
SCHEMBL1338679 0.84 MEN1 (0.59) MEN1KMT2ANPSR1PREPSMN1; SMN2
SCHEMBL29129700 0.84 MEN1 (0.59) MEN1KMT2ANPSR1PREPSMN1; SMN2
SCHEMBL29129699 0.84 MEN1 (0.59) MEN1KMT2ANPSR1PREPSMN1; SMN2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12084467-B2 Therapeutic compounds for HIV virus infection GILEAD SCIENCES, INC. (US) 2024-09-10 US disclosed
CN-118355020-A Therapeutic compounds for HIV virus infection 吉利德科学公司 2024-07-16 CN disclosed
US-20230331729-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME (NL) 2023-10-19 US disclosed
EP-4249076-A2 (S)-4-(8-AMINO-3-(1-(BUT-2-YNOYL)PYRROLIDIN-2-YL)IMIDAZO[1,5-A]PYRAZIN-1-YL)-2-METHOXY-N-(PYRIDIN-2-YL)BENZAMIDE AS BTK-INHIBITOR Merck Sharp & Dohme B.V. (NL) 2023-09-27 EP disclosed
US-20230203071-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-06-29 US disclosed
EP-3495368-B1 (S)-4-(8-AMINO-3-(1-(BUT-2-YNOYL)PYRROLIDIN-2-YL)IMIDAZO[1,5-A]PYRAZIN-1-YL)-2-METHOXY-N-(PYRIDIN-2-YL)BENZAMIDE AS BTK-INHIBITOR MERCK SHARP & DOHME (NL) 2023-05-31 EP disclosed
EP-3689878-B1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK-INHIBITORS MERCK SHARP & DOHME (NL) 2021-10-06 EP disclosed
US-20210230166-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2021-07-29 US disclosed
US-10934296-B2 4-imidazopyridazin-1-yl-benzamides as Btk inhibitors MERCK SHARP & DOHME B.V. (NL) 2021-03-02 US disclosed
EP-3689878-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK-INHIBITORS Merck Sharp & Dohme B.V. (NL) 2020-08-05 EP disclosed
US-10239883-B2 4-imidazopyridazin-1-yl-benzamides as BTK inhibitors MERCK SHARP & DOHME B.V. (NL) 2019-03-26 US disclosed
US-20180179212-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2018-06-28 US disclosed
US-9790226-B2 4-imidazopyridazin-1-yl-benzamides and 4-imidazotriazin-1-yl-benzamides as BtK inhibitors MERCK SHARP & DOHME B.V. (NL) 2017-10-17 US disclosed
US-9758524-B2 4-imidazopyridazin-1-yl-benzamides as Btk inhibitors MERCK SHARP & DOHME B.V. (NL) 2017-09-12 US disclosed
US-20160159810-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2016-06-09 US disclosed
US-20160151364-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2016-06-02 US disclosed
US-9290504-B2 4-imidazopyridazin-1-yl-benzamides and 4-imidazotriazin-1-yl-benzamides as Btk inhibitors MERCK SHARP & DOHME B.V. (NL) 2016-03-22 US disclosed
US-20140155385-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-06-05 US disclosed
EP-2734522-A1 4 - IMIDAZOPYRIDAZIN- 1 -YL-BENZAMIDES AND 4 - IMIDAZOTRIAZIN- 1 - YL - BENZAMIDES AS BTK- INHIBITORS Merck Sharp & Dohme B.V. (NL) 2014-05-28 EP disclosed
WO-2013010868-A1 4 - IMIDAZOPYRIDAZIN- 1 -YL-BENZAMIDES AND 4 - IMIDAZOTRIAZIN- 1 - YL - BENZAMIDES AS BTK- INHIBITORS MSD OSS B.V. (NL) 2013-01-24 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 (10 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-20180179212-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, SYK, ABL1 MEN1 3507/4885KMT2A 707/4885NPSR1 4548/4885
US-12084467-B2 Therapeutic compounds for HIV virus infection HAVCR2, MAVS, CD4 MEN1 4418/4885KMT2A 3782/4885NPSR1 4454/4885
US-10934296-B2 4-imidazopyridazin-1-yl-benzamides as Btk inhibitors BTK, SYK, ABL1 MEN1 3507/4885KMT2A 707/4885NPSR1 4548/4885
US-20160159810-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, ABL1, SYK MEN1 3091/4885KMT2A 575/4885NPSR1 4492/4885
US-20160151364-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, ABL1, SYK MEN1 3091/4885KMT2A 575/4885NPSR1 4492/4885
US-20210230166-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, SYK, ABL1 MEN1 3507/4885KMT2A 707/4885NPSR1 4548/4885
US-10239883-B2 4-imidazopyridazin-1-yl-benzamides as BTK inhibitors BTK, SYK, ABL1 MEN1 3507/4885KMT2A 707/4885NPSR1 4548/4885
US-20230203071-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION HAVCR2, MAVS, CD4 MEN1 4418/4885KMT2A 3782/4885NPSR1 4454/4885
US-20140155385-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, ABL1, SYK MEN1 3124/4885KMT2A 528/4885NPSR1 4435/4885
US-20230331729-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, SYK, ABL1 MEN1 3507/4885KMT2A 707/4885NPSR1 4548/4885

“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.