SCHEMBL21348047

SCHEMBL21348047

COc1cccc2ncnc(C(C)C)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.49
KCNA5 P22460 1/20 0.45
PDE1B Q01064 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
DCPS Q96C86 1/20 0.41
ELANE P08246 1/20 0.39
NQO2 P16083 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ERBB2 P04626 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
FGFR2 P21802 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
RET P07949 2/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL14431323 0.77 ELANE (0.40) EGFRPDE1BHPGDKDM4EALDH1A1
SCHEMBL26313711 0.77 EGFR (0.52) EGFRKCNA5HPGDKDM4EALDH1A1
SCHEMBL21347900 0.77 ELANE (0.42) EGFRELANEMEN1KMT2A
SCHEMBL21340329 0.76 PARP1 (0.41) EGFRPDE1BALDH1A1ERBB2FGFR2
SCHEMBL1478679 0.76 KMT2A (0.54) EGFRKCNA5HPGDKDM4EALDH1A1
SCHEMBL22644982 0.76 PDE1B (0.48) EGFRPDE1BHPGDNQO2MEN1
SCHEMBL30782464 0.76 KMT2A (0.54) EGFRKCNA5HPGDKDM4EALDH1A1
SCHEMBL3429487 0.76 EGFR (0.51) EGFRKCNA5HPGDKDM4EALDH1A1
SCHEMBL21937410 0.76 PARP1 (0.41) EGFRPDE1BMEN1KMT2A
SCHEMBL18312193 0.76 DCPS (0.60) EGFRKCNA5HPGDKDM4EALDH1A1

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-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 EGFR 457/4885KCNA5 1439/4885PDE1B 4133/4885
US-11419869-B2 Dosage forms and regimens for amino acid compounds ITGB6, ITGA6, ITGAV EGFR 463/4885KCNA5 1269/4885PDE1B 3936/4885
US-10793564-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 EGFR 457/4885KCNA5 1439/4885PDE1B 4133/4885
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 EGFR 457/4885KCNA5 1439/4885PDE1B 4133/4885
US-20210017171-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 EGFR 457/4885KCNA5 1439/4885PDE1B 4133/4885
US-20200352942-A1 DOSAGE FORMS AND REGIMENS FOR AMINO ACID COMPOUNDS ITGB6, ITGA6, ITGAV EGFR 463/4885KCNA5 1269/4885PDE1B 3936/4885
US-11560376-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 EGFR 457/4885KCNA5 1439/4885PDE1B 4133/4885
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS ITGB6, ITGAV, ITGA6 EGFR 932/4885KCNA5 718/4885PDE1B 3313/4885
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS ITGA5, ITGAL, ITGB5 EGFR 769/4885KCNA5 1049/4885PDE1B 4790/4885

“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.