SCHEMBL7787544

SCHEMBL7787544

C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
PREP P48147 1/20 0.42
CTSL P07711 2/20 0.41
CTSK P43235 2/20 0.41
CTSB P07858 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
TSHR P16473 1/20 0.38
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
HPGD P15428 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL14718514 1.00 HRH2 (0.43) HRH2HRH1PREPCTSLCTSK
Valeric Acid SCHEMBL27945281 0.86 HRH2 (0.48) HRH2HRH1CTSLCTSKCTSB
SCHEMBL23845173 0.85 CTSK (0.50) HRH2HRH1PREPCTSLCTSK
SCHEMBL5416784 0.85 CTSK (0.50) HRH2HRH1PREPCTSLCTSK
SCHEMBL13287349 0.85 CTSK (0.50) HRH2HRH1PREPCTSLCTSK
SCHEMBL5451133 0.84 CTSK (0.49) HRH2HRH1PREPCTSLCTSK
SCHEMBL5435526 0.84 CTSK (0.49) HRH2HRH1PREPCTSLCTSK
SCHEMBL4766548 0.84 CTSK (0.49) HRH2HRH1PREPCTSLCTSK
SCHEMBL20120151 0.83 MAPK1 (0.53) HRH2HRH1CTSLCTSKCTSB
SCHEMBL13994323 0.83 MAPK1 (0.53) HRH2HRH1CTSLCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425476-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2024-12-26 US disclosed
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
US-20240182441-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2024-06-06 US disclosed
EP-4326724-A1 COMPOUND AS ADENOSINE A2A RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2024-02-28 EP disclosed
CN-117120443-A Compounds as adenosine A2a receptor antagonists and pharmaceutical compositions containing the same 株式会社 钟根堂 2023-11-24 CN disclosed
EP-4119551-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS Astrazeneca AB (SE) 2023-01-18 EP disclosed
US-11524951-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds ASTRAZENECA AB (SE) 2022-12-13 US disclosed
EP-4086246-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS AS EGFR MODULATORS AstraZeneca AB (SE) 2022-11-09 EP disclosed
WO-2022224180-A1 COMPOUND AS ADENOSINE A2A RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2022-10-27 WO disclosed
EP-3333161-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE DERIVATIVES AS EGFR MODULATORS USEFUL FOR TREATING CANCER Astrazeneca AB (SE) 2018-06-13 EP disclosed
EP-3009431-B1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE DERIVATIVES AS EGFR MODULATORS USEFUL FOR TREATING CANCER ASTRAZENECA AB (SE) 2017-10-25 EP disclosed
US-9732058-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds ASTRAZENECA AB (SE) 2017-08-15 US disclosed
EP-3009431-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE DERIVATIVES AS EGFR MODULATORS USEFUL FOR TREATING CANCER Astrazeneca AB (SE) 2016-04-20 EP disclosed
EP-2736895-B1 2-(2,4,5-SUBSTITUTED-ANILINO) PYRIMIDINE DERIVATIVES AS EGFR MODULATORS USEFUL FOR TREATING CANCER ASTRAZENECA AB (SE) 2016-01-06 EP disclosed
US-20150119379-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2015-04-30 US disclosed
US-8946235-B2 2-(2,4,5-substituted-anilino) pyrimidine compounds ASTRAZENECA AB (SE) 2015-02-03 US disclosed
US-20130053409-A1 2-(2,4,5-SUBSTITUTED-ANILINO) PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2013-02-28 US disclosed
EP-0939765-B1 GLYCOCONJUGATES OF MODIFIED CAMPTOTHECIN DERIVATIVES (A- OR B-RING LINKAGE) BAYER AG (DE) 2001-12-05 EP disclosed
US-6156754-A Glycoconjugates of modified camptothecin derivatives (A-or B-ring linkage) BAYER AKTIENGESELLSCHAFT (DE) 2000-12-05 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 (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-20130053409-A1 2-(2,4,5-SUBSTITUTED-ANILINO) PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 HRH2 1588/4885HRH1 3081/4885PREP 3272/4885
US-20240425476-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 HRH2 1588/4885HRH1 3081/4885PREP 3272/4885
US-20150119379-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 HRH2 1588/4885HRH1 3081/4885PREP 3272/4885
US-11524951-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds EGFR, ERBB2, ERBB3 HRH2 1588/4885HRH1 3081/4885PREP 3272/4885
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ADORA2A, ADORA1, ADORA2B HRH2 385/4885HRH1 398/4885PREP 4006/4885
US-20240182441-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 HRH2 1588/4885HRH1 3081/4885PREP 3272/4885

“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.