Sugi Predict

Sugi Predict / Compounds / SCHEMBL2976142

SCHEMBL2976142

SCHEMBL2976142

O=C(O)C=CCCN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPT P10636 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ GFER P55789 1/20 0.39

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
SCHEMBL2978029 1.00 CYP1A2 (0.47) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2976139 1.00 CYP1A2 (0.47) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2978033 1.00 CYP1A2 (0.47) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2967775 0.89 CYP1A2 (0.53) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2967773 0.89 CYP1A2 (0.53) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL15710532 0.82 L3MBTL1 (0.52) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2978810 0.81 GLA (0.52) MAPK1SMN1; SMN2ALDH1A1MAPTHSP90AA1
SCHEMBL2978814 0.81 GLA (0.52) MAPK1SMN1; SMN2ALDH1A1MAPTHSP90AA1
SCHEMBL15710678 0.80 L3MBTL1 (0.48) CYP1A2MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2973176 0.79 GABRR1 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112279821-B Synthesis method of 4, 4-difluoro-3-oxo-2-piperidine-1-yl methylene ethyl butyrate 宿迁市科莱博生物化学有限公司 2022-09-20 — — CN claimed
CN-112279821-A Synthesis method of 4, 4-difluoro-3-oxo-2-piperidine-1-yl methylene ethyl butyrate 宿迁市科莱博生物化学有限公司 2021-01-29 — — CN claimed
US-7772243-B2 4-phenylamino-quinazolin-6-yl-amides WARNER-LAMBERT COMPANY LLC (US) 2010-08-10 — — US claimed
JP-4205757-B2 — — 2009-01-07 — — JP claimed
JP-2007536368-A — — 2007-12-13 — — JP claimed
EP-1746999-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES Warner-Lambert Company LLC (US) 2007-01-31 — — EP claimed
WO-2005107758-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES WARNER-LAMBERT COMPANY LLC (US) 2005-11-17 — — WO claimed
US-20050250761-A1 such as -Piperidin-1-yl-but-2-enoic acid [4(3-chloro-4-fluoro-phenylamino)-7-methoxy-quinazolin-6-yl]-amide, used as tyrosine kinase inhibitors, for the prevention of proliferative diseases, including cancer, atherosclerosis, restenosis, endometriosis and psoriasis PFIZER INC 2005-11-10 — — US claimed
CN-117603069-A 2-difluoro acetyl-3-dimethylamino ethyl acrylate compound, and preparation method and application thereof 安徽泓泽新材料科技有限公司 2024-02-27 — — CN disclosed
CN-117603070-A 2-difluoro acetyl-3-dimethylamino ethyl acrylate compound, and preparation method and application thereof 安徽泓泽新材料科技有限公司 2024-02-27 — — CN disclosed
US-20230001008-A1 COMPOSITIONS AND METHODS FOR TARGETING CELLULAR MOLECULES KUMQUAT BIOSCIENCES INC. 2023-01-05 — — US disclosed
CN-112279821-B Synthesis method of 4, 4-difluoro-3-oxo-2-piperidine-1-yl methylene ethyl butyrate 宿迁市科莱博生物化学有限公司 2022-09-20 — — CN disclosed
CN-112279821-B Synthesis method of 4, 4-difluoro-3-oxo-2-piperidine-1-yl methylene ethyl butyrate 宿迁市科莱博生物化学有限公司 2022-09-20 — — CN disclosed
WO-2021035096-A1 COMPOSITIONS AND METHODS FOR TARGETING CELLULAR MOLECULES KUMQUAT BIOSCIENCES INC. (US) 2021-02-25 — — WO disclosed
US-8466165-B2 4-phenylamino-quinazolin-6-yl-amides WARNER-LAMBERT COMPANY LLC (US) 2013-06-18 — — US disclosed
US-7772243-B2 4-phenylamino-quinazolin-6-yl-amides WARNER-LAMBERT COMPANY LLC (US) 2010-08-10 — — US disclosed
US-20100190977-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES PFIZER INC. 2010-07-29 — — US disclosed
EP-1746999-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES Warner-Lambert Company LLC (US) 2007-01-31 — — EP disclosed
WO-2005107758-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES WARNER-LAMBERT COMPANY LLC (US) 2005-11-17 — — WO disclosed
US-20050250761-A1 such as -Piperidin-1-yl-but-2-enoic acid [4(3-chloro-4-fluoro-phenylamino)-7-methoxy-quinazolin-6-yl]-amide, used as tyrosine kinase inhibitors, for the prevention of proliferative diseases, including cancer, atherosclerosis, restenosis, endometriosis and psoriasis PFIZER INC 2005-11-10 — — 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-20230001008-A1 COMPOSITIONS AND METHODS FOR TARGETING CELLULAR MOLECULES CD2BP2, CD47, CD74 CYP1A2 4885/4885MAPK1 4421/4885SMN1; SMN2 3288/4885
US-20100190977-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES HRH4, HRH3, HRH2 CYP1A2 330/4885MAPK1 1125/4885SMN1; SMN2 2183/4885
US-20050250761-A1 such as -Piperidin-1-yl-but-2-enoic acid [4(3-chloro-4-fluoro-phenylamino)-7-methoxy-quinazolin-6-yl]-amide, used as tyrosine kinase inhibitors, for the prevention of proliferative diseases, including cancer, atherosclerosis, restenosis, endometriosis and psoriasis JAK1, JAK2, EDNRA CYP1A2 1503/4885MAPK1 21/4885SMN1; SMN2 4599/4885

“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.