SCHEMBL16763877

SCHEMBL16763877

CN1CCN(C2CCCNC2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.38
▸ HTR2B P41595 13/20 0.37
▸ HTR2C P28335 13/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37
▸ CAMK2D Q13557 1/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ JAK3 P52333 1/20 0.34

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
SCHEMBL16763874 1.00 PARP1 (0.38) PARP1HTR2BHTR2CHTR6HTR3E
Hydrochloric Acid SCHEMBL21855144 0.98 PARP1 (0.37) PARP1HTR2BHTR2CHTR6HTR3E
SCHEMBL20986376 0.92 HTR2C (0.39) PARP1HTR2BHTR2CHTR6HTR3E
SCHEMBL20986373 0.92 HTR2C (0.39) PARP1HTR2BHTR2CHTR6HTR3E
SCHEMBL16786083 0.92 HTR2C (0.39) PARP1HTR2BHTR2CHTR6HTR3E
Hydrochloric Acid SCHEMBL16764419 0.90 HTR2C (0.39) PARP1HTR2BHTR2CHTR6HTR3E
Hydrochloric Acid SCHEMBL16764417 0.90 HTR2C (0.39) PARP1HTR2BHTR2CHTR6HTR3E
Trifluoroacetic Acid SCHEMBL28856904 0.88 PARP1 (0.37) PARP1HTR2BHTR2CEGFRLCK
SCHEMBL24832835 0.84 HTR6 (0.44) PARP1HTR2BHTR2CHTR6HTR3E
SCHEMBL16786080 0.84 PARP1 (0.40) PARP1HTR2BHTR2CHTR6HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360146-A1 BRUTON'S TYROSINE KINASE AND MUTANT DEGRADER, COMPOSITION AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2024-10-31 — — US disclosed
EP-4342892-A1 BRUTON'S TYROSINE KINASE AND MUTANT DEGRADER, COMPOSITION AND APPLICATION THEREOF Hangzhou Healzen Therapeutics Co., Ltd. (CN) 2024-03-27 — — EP disclosed
WO-2023274390-A1 BRUTON'S TYROSINE KINASE AND MUTANT DEGRADER, COMPOSITION AND APPLICATION THEREOF 杭州和正医药有限公司 2023-01-05 — — WO disclosed
CN-115557933-A Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2023-01-03 — — CN disclosed
US-20200079754-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2020-03-12 — — US disclosed
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2019-04-04 — — US disclosed
US-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-02-01 — — US disclosed
US-9656988-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-05-23 — — US disclosed
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2016-12-08 — — US disclosed
EP-3077388-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics, LLC (US) 2016-10-12 — — EP disclosed
US-9382246-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2016-07-05 — — US disclosed
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2015-06-11 — — US disclosed
WO-2015084998-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2015-06-11 — — 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 (6 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-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK PARP1 891/4885HTR2B 3298/4885HTR2C 3734/4885
US-20200079754-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK PARP1 972/4885HTR2B 3559/4885HTR2C 3942/4885
US-20240360146-A1 BRUTON'S TYROSINE KINASE AND MUTANT DEGRADER, COMPOSITION AND APPLICATION THEREOF BTK, ZAP70, SYK PARP1 3454/4885HTR2B 3458/4885HTR2C 3796/4885
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK PARP1 892/4885HTR2B 3267/4885HTR2C 3688/4885
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK PARP1 892/4885HTR2B 3267/4885HTR2C 3688/4885
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK PARP1 892/4885HTR2B 3267/4885HTR2C 3688/4885

“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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