Sugi Predict

Sugi Predict / Compounds / SCHEMBL15878428

SCHEMBL15878428

SCHEMBL15878428

COC(=O)c1ccc(CCNCc2ccc(OC)cc2OC)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.52
▸ TAS1R1 Q7RTX1 1/20 0.52
▸ APLNR P35414 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ DPP7 Q9UHL4 1/20 0.45
▸ ROCK2 O75116 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL17895130 0.81 KDM4C (0.52) TAS1R3TAS1R1APLNRHTR2AHTR2C
SCHEMBL17892517 0.76 TDP1 (0.46) TAS1R3TAS1R1ALDH1A1TSHRMAPT
SCHEMBL701192 0.75 TAS1R3 (0.86) TAS1R3TAS1R1APLNRALDH1A1TSHR
Hydrochloric Acid SCHEMBL4257386 0.74 TAS1R3 (0.85) TAS1R3TAS1R1APLNRALDH1A1TSHR
SCHEMBL21393493 0.74 MTNR1A (0.47) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL7768853 0.74 APLNR (0.86) APLNRHTR2AHTR2CALDH1A1TSHR
SCHEMBL11713665 0.74 CA1 (0.54) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL21383273 0.73 KDM4E (0.49) ALDH1A1MAPTKMT2ACYP1A2CYP3A4
SCHEMBL24851928 0.72 APLNR (0.67) TAS1R3TAS1R1APLNRHTR2AHTR2C
SCHEMBL3200678 0.72 APLNR (0.67) TAS1R3TAS1R1APLNRHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240543-B1 BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-11-06 — — EP disclosed
US-11974999-B2 Bruton's tyrosine kinase inhibitors Liao, Xibin (US) 2024-05-07 — — US disclosed
CN-110494433-B Bruton's tyrosine kinase inhibitors 廖细斌 2023-03-17 — — CN disclosed
US-11554118-B2 Bruton's tyrosine kinase inhibitors Liao, Xibin (US) 2023-01-17 — — US disclosed
EP-3240536-B1 IMIDAZOPYRAZINE ANALOGS WITH 3-TERTIARY CARBON SUBSTITUTIONS AS BTK INHIBITORS MERCK SHARP & DOHME (US) 2022-04-20 — — EP disclosed
US-20210121458-A1 BRUTON'S TYROSINE KINASE INHIBITORS Suzhou Baijibugong Pharmaceutical Technology Co., Ltd. (CN) 2021-04-29 — — US disclosed
US-20210121458-A1 BRUTON'S TYROSINE KINASE INHIBITORS Suzhou Baijibugong Pharmaceutical Technology Co., Ltd. (CN) 2021-04-29 — — US disclosed
US-20210107903-A1 BRUTON'S TYROSINE KINASE INHIBITORS Suzhou Baijibugong Pharmaceutical Technology Co., Ltd. (CN) 2021-04-15 — — US disclosed
US-20210107903-A1 BRUTON'S TYROSINE KINASE INHIBITORS Suzhou Baijibugong Pharmaceutical Technology Co., Ltd. (CN) 2021-04-15 — — US disclosed
US-10933063-B2 Bruton's tyrosine kinase inhibitors Liao, Xibin (US) 2021-03-02 — — US disclosed
US-9481682-B2 Substituted benzamides and substituted pyridinecarboxamides as Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 — — US disclosed
WO-2016109221-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 — — WO disclosed
WO-2016109220-A1 IMIDAZOPYRAZINE ANALOGS WITH 3-TERTIARY CARBON SUBSTITUTIONS AS BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 — — WO disclosed
WO-2016109216-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 — — WO disclosed
WO-2016106628-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 — — WO disclosed
WO-2016106626-A1 IMIDAZOPYRAZINE ANALOGS WITH 3-TERTIARY CARBON SUBSTITUTIONS AS BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 — — WO disclosed
US-20150353570-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 — — US disclosed
EP-2948458-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-02 — — EP disclosed
WO-2014114185-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 — — WO disclosed
US-20140206681-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. 2014-07-24 — — 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 (7 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-11974999-B2 Bruton's tyrosine kinase inhibitors BTK, ABL1, SYK TAS1R3 2389/4885TAS1R1 1982/4885APLNR 4789/4885
US-20140206681-A1 BTK INHIBITORS BTK, SYK, LYN TAS1R3 2639/4885TAS1R1 1921/4885APLNR 4830/4885
US-20210107903-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK TAS1R3 2389/4885TAS1R1 1982/4885APLNR 4789/4885
US-20150353570-A1 BTK INHIBITORS BTK, SYK, LYN TAS1R3 2639/4885TAS1R1 1921/4885APLNR 4830/4885
US-10933063-B2 Bruton's tyrosine kinase inhibitors BTK, ABL1, SYK TAS1R3 2389/4885TAS1R1 1982/4885APLNR 4789/4885
US-20210121458-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK TAS1R3 2389/4885TAS1R1 1982/4885APLNR 4789/4885
US-11554118-B2 Bruton's tyrosine kinase inhibitors BTK, ABL1, SYK TAS1R3 2389/4885TAS1R1 1982/4885APLNR 4789/4885

“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.