SCHEMBL21348050

SCHEMBL21348050

COc1nc(C(C)C)c2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
PRNP P04156 2/20 0.42
MAT2A P31153 1/20 0.42
TSHR P16473 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 2/20 0.42
MEN1 O00255 1/20 0.42
MPO P05164 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.38
KDM1A O60341 1/20 0.38
RAD52 P43351 1/20 0.38
GFER P55789 1/20 0.38
ALOX15 P16050 1/20 0.38
GPR3 P46089 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 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
SCHEMBL3118890 0.76 ADORA2A (0.45) POLBMAPTKMT2AMEN1LMNA
SCHEMBL11735484 0.76 NPSR1 (0.46) POLBPRNPTSHRMAPTKMT2A
SCHEMBL317214 0.76 MAPT (0.56) POLBPRNPMAT2ATSHRMAPT
SCHEMBL29487316 0.76 MAPT (0.56) POLBPRNPMAT2ATSHRMAPT
SCHEMBL13578782 0.76 HTT (0.49) POLBPRNPTSHRKMT2AATM
SCHEMBL30277502 0.75 GPR3 (0.54) POLBTSHRMAPTKMT2ALMNA
SCHEMBL20855331 0.75 GPR3 (0.54) POLBTSHRMAPTKMT2ALMNA
SCHEMBL13051718 0.75 LMNA (0.45) TSHRMAPTKMT2AATMMEN1
SCHEMBL14670848 0.75 PRMT5 (0.38) TSHRMAPTKMT2AMEN1LMNA
SCHEMBL21340325 0.74 TLR7 (0.41) POLBPRNPTSHRMAPTKMT2A

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-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2023-01-26 US disclosed
US-11560376-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-01-24 US disclosed
US-11419869-B2 Dosage forms and regimens for amino acid compounds PLIANT THERAPEUTICS, INC. (US) 2022-08-23 US disclosed
US-20210017171-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2021-01-21 US disclosed
US-20200352942-A1 DOSAGE FORMS AND REGIMENS FOR AMINO ACID COMPOUNDS PLIANT THERAPEUTICS, INC. 2020-11-12 US disclosed
US-10793564-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-10-06 US disclosed
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2019-09-12 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 (9 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 POLB 4496/4885PRNP 1145/4885MAT2A 2575/4885
US-11419869-B2 Dosage forms and regimens for amino acid compounds ITGB6, ITGA6, ITGAV POLB 4514/4885PRNP 1057/4885MAT2A 2204/4885
US-10793564-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 POLB 4496/4885PRNP 1145/4885MAT2A 2575/4885
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 POLB 4496/4885PRNP 1145/4885MAT2A 2575/4885
US-20210017171-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 POLB 4496/4885PRNP 1145/4885MAT2A 2575/4885
US-20200352942-A1 DOSAGE FORMS AND REGIMENS FOR AMINO ACID COMPOUNDS ITGB6, ITGA6, ITGAV POLB 4514/4885PRNP 1057/4885MAT2A 2204/4885
US-11560376-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 POLB 4496/4885PRNP 1145/4885MAT2A 2575/4885
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS ITGB6, ITGAV, ITGA6 POLB 4468/4885PRNP 1228/4885MAT2A 3948/4885
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS ITGA5, ITGAL, ITGB5 POLB 3183/4885PRNP 2794/4885MAT2A 3151/4885

“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.