SCHEMBL14747699

SCHEMBL14747699

CC(C)c1ncnc2cc[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.53
IRAK4 Q9NWZ3 1/20 0.39
MAPK1 P28482 1/20 0.36
BRAF P15056 1/20 0.35
TNNI3K Q59H18 1/20 0.35
JAK3 P52333 1/20 0.35
FFAR2 O15552 1/20 0.35
EIF4E P06730 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
EGFR P00533 6/20 0.33
ERBB2 P04626 6/20 0.33
ERBB3 P21860 6/20 0.33
ERBB4 Q15303 6/20 0.33
LPAR1 Q92633 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
PIP4K2C Q8TBX8 1/20 0.32
AKT1 P31749 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL24835659 0.78 DYRK1A (0.35) DYRK1APIP4K2C
SCHEMBL19130905 0.75 FFAR2 (0.40) DYRK1AJAK3FFAR2
SCHEMBL13186164 0.74 DYRK1A (0.59) DYRK1AIRAK4MAPK1BRAFTNNI3K
SCHEMBL18963653 0.73 DYRK1A (0.53) DYRK1AIRAK4BRAFTNNI3KEGFR
SCHEMBL13524887 0.73 MAPK1 (0.41) DYRK1AIRAK4MAPK1PIP4K2CAKT1
SCHEMBL17320236 0.72 KDR (0.42) DYRK1APIP4K2C
SCHEMBL25549142 0.72 TYK2 (0.36) DYRK1APIP4K2C
SCHEMBL18237616 0.71 GRM5 (0.38) PIP4K2CTAAR1
SCHEMBL18237587 0.71 LRRK2 (0.33)
SCHEMBL2078428 0.69 DYRK1A (0.59) DYRK1AIRAK4MAPK1BRAFTNNI3K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 US disclosed
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 US disclosed
WO-2022007966-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川海思科制药有限公司 2022-01-13 WO disclosed
US-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-08-06 US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 WO disclosed
US-8389516-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-03-05 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 (5 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-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 DYRK1A 4449/4885IRAK4 3300/4885MAPK1 1617/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT DYRK1A 1107/4885IRAK4 4611/4885MAPK1 4565/4885
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP11B2, WEE2, CYP11B1 DYRK1A 919/4885IRAK4 4445/4885MAPK1 42/4885
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS ITGA5, ITGAL, ITGB5 DYRK1A 4747/4885IRAK4 1543/4885MAPK1 1668/4885
US-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ACVR1, ACVRL1, ALK DYRK1A 3631/4885IRAK4 557/4885MAPK1 1109/4885

“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.