Sugi Predict

Sugi Predict / Compounds / SCHEMBL24306

SCHEMBL24306

SCHEMBL24306

O=C(O)C=CCN1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ BLM P54132 3/20 0.39
▸ GABRR1 P24046 2/20 0.39
▸ GABRR2 P28476 2/20 0.39
▸ GABRR3 A8MPY1 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 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
SCHEMBL2972244 1.00 CYP1A2 (0.41) CYP1A2MAPK1SMN1; SMN2BLMGABRR1
SCHEMBL24305 1.00 CYP1A2 (0.41) CYP1A2MAPK1SMN1; SMN2BLMGABRR1
SCHEMBL2972245 1.00 CYP1A2 (0.41) CYP1A2MAPK1SMN1; SMN2BLMGABRR1
Hydrochloric Acid SCHEMBL6624060 0.98 ELANE (0.40) CYP1A2MAPK1SMN1; SMN2BLMGABRR1
Hydrochloric Acid SCHEMBL6624057 0.98 ELANE (0.40) CYP1A2MAPK1SMN1; SMN2BLMGABRR1
SCHEMBL2977137 0.98 BLM (0.41) CYP1A2MAPK1SMN1; SMN2BLMGABRR1
SCHEMBL2977139 0.98 BLM (0.41) CYP1A2MAPK1SMN1; SMN2BLMGABRR1
Hydrochloric Acid SCHEMBL14636142 0.96 BLM (0.39) CYP1A2MAPK1SMN1; SMN2BLMGABRR1
Hydrochloric Acid SCHEMBL14636144 0.96 BLM (0.39) CYP1A2MAPK1SMN1; SMN2BLMGABRR1
SCHEMBL10954953 0.93 BLM (0.41) CYP1A2MAPK1SMN1; SMN2BLMGABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112707869-B Dacotinib impurity and preparation method thereof 扬子江药业集团有限公司 2022-03-22 — — 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
WO-2024125532-A1 NOVEL HETEROCYCLIC COMPOUND ACTING AS CDKS INHIBITOR, AND USE THEREOF 杭州德睿智药科技有限公司 2024-06-20 — — WO disclosed
EP-3345900-B1 2, 4-DI-(NITROGEN CONTAINING GROUP) SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF BEBETTER MED INC (CN) 2024-06-12 — — EP disclosed
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 — — US disclosed
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 — — WO disclosed
US-20230001008-A1 COMPOSITIONS AND METHODS FOR TARGETING CELLULAR MOLECULES KUMQUAT BIOSCIENCES INC. 2023-01-05 — — US disclosed
CN-112707869-B Dacotinib impurity and preparation method thereof 扬子江药业集团有限公司 2022-03-22 — — CN disclosed
EP-1746999-B1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES WARNER LAMBERT CO (US) 2011-11-16 — — EP disclosed
US-20110262877-A1 HEAT TREATMENT APPARATUS IHI CORPORATION (JP) 2011-10-27 — — 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 (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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 CYP1A2 1325/4885MAPK1 646/4885SMN1; SMN2 2951/4885
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.