SCHEMBL21348048

SCHEMBL21348048

Cc1nc(C(C)C)c2c(F)cccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.45
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
TNNI3 P19429 1/20 0.36
CYP2C19 P33261 1/20 0.36
TNNT2 P45379 1/20 0.36
TNNC1 P63316 1/20 0.36
RUNX1 Q01196 1/20 0.36
KMT2A Q03164 1/20 0.36
CBFB Q13951 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ACHE P22303 4/20 0.36
KCNH2 Q12809 1/20 0.33
BCHE P06276 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL12501306 0.78 PARP1 (0.50) PARP1KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL14842829 0.75 PARP1 (0.47) PARP1KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL21937410 0.74 PARP1 (0.41) PARP1MEN1KMT2ASMN1; SMN2ACHE
SCHEMBL21340205 0.72 SSTR4 (0.38) PARP1KDM4EMEN1KMT2APDE10A
SCHEMBL13578782 0.71 HTT (0.49) PARP1KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL28992068 0.68 PARP1 (0.38) PARP1KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL22063696 0.68 NOS3 (0.33) PARP1ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL29077016 0.67 PARP1 (0.50) PARP1KDM4EALDH1A1HPGDPDE10A
SCHEMBL2123259 0.67 PARP1 (0.40) PARP1ACHEKCNH2HSP90AB1TNKS
SCHEMBL2125021 0.67 PARP1 (0.40) PARP1CYP1A2HPGDACHEKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328230-A2 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2024-02-28 EP disclosed
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
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-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-20210017171-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2021-01-21 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 (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-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 PARP1 3318/4885KDM4E 3239/4885MEN1 3206/4885
US-10793564-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 PARP1 3318/4885KDM4E 3239/4885MEN1 3206/4885
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 PARP1 3318/4885KDM4E 3239/4885MEN1 3206/4885
US-20210017171-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 PARP1 3318/4885KDM4E 3239/4885MEN1 3206/4885
US-11560376-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 PARP1 3318/4885KDM4E 3239/4885MEN1 3206/4885
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS ITGB6, ITGAV, ITGA6 PARP1 1135/4885KDM4E 2899/4885MEN1 2885/4885
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS ITGA5, ITGAL, ITGB5 PARP1 2338/4885KDM4E 4191/4885MEN1 2809/4885

“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.