SCHEMBL4844711

SCHEMBL4844711

O=C(Nc1nc2c(ncn2CC(=O)N2CCN(S(=O)(=O)c3nc4ccccc4s3)C(=O)C2)c(=O)[nH]1)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.35
CXCR3 P49682 1/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
ITGB3 P05106 2/20 0.33
ITGAV P06756 2/20 0.33
TK1 P04183 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
SCHEMBL4838651 0.94 MAPT (0.34) RAB9AMEN1TSHRKMT2A
SCHEMBL4835794 0.91 SSTR5 (0.36) RAB9AMEN1TSHRKMT2A
SCHEMBL4843290 0.90 KMT2A (0.36) MEN1TSHRKMT2A
SCHEMBL4835656 0.89 TSHR (0.35) RAB9AMEN1TSHRKMT2ATK1
SCHEMBL4835831 0.89 TK1 (0.33) MEN1TSHRKMT2ATK1
SCHEMBL4845170 0.87 GALR3 (0.40) RAB9AIRAK4CXCR3GALR3NR2F2
SCHEMBL6108933 0.84 RAB9A (0.37) RAB9ACXCR3MEN1TSHRKMT2A
SCHEMBL4842283 0.82 F10 (0.32) KMT2ATK1
SCHEMBL4843173 0.81 GALR3 (0.36) RAB9AMEN1TSHRKMT2AGALR3
SCHEMBL4839792 0.81 RAB9A (0.56) RAB9AIRAK4CXCR3MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7411065-B2 Peptide nucleic acid monomers: diphenylmethyl, benzyl, alkylthioalkyl, or phenylthioalkyl esters of N-(1-[4-(2-benzothiazolyl-, 2-benzoxazolyl-, 2-benzofuranyl- or 2-benzothiophenyl-sulfonyl)-3-piperazinon-1-ylcarbonylmethyl]pyrimidon-4-yl)carbamic acids PANAGENE, INC. (KR) 2008-08-12 US disclosed
US-7371860-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2008-05-13 US disclosed
US-7371859-B2 Peptide nucleic acid monomers; 1-(4-(benzothiazolyl-, benzoxazolyl-, benzofuranyl-, and benzothiophenyl- sulfonyl)piperidin-3-one-1-ylcarbonylmethyl)adenines; suitable for automatic and parallel synthesis; increased yields PANAGENE, INC. (KR) 2008-05-13 US disclosed
US-7179896-B2 Method of making PNA oligomers PANAGENE, INC. (KR) 2007-02-20 US disclosed
US-7145006-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2006-12-05 US disclosed
US-7125994-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2006-10-24 US disclosed
US-20060030709-A1 Peptide nucleic acid monomers; 1-(4-(benzothiazolyl-, benzoxazolyl-, benzofuranyl-, and benzothiophenyl- sulfonyl)piperidin-3-one-1-ylcarbonylmethyl)adenines; suitable for automatic and parallel synthesis; increased yields PANAGENE, INC. (KR) 2006-02-09 US disclosed
US-20060008835-A1 PNA monomer and precursor KIM SUNG K 2006-01-12 US disclosed
US-20060003374-A1 Method of making PNA oligomers KIM SUNG K 2006-01-05 US disclosed
US-20050283005-A1 PNA monomer and precursor KIM SUNG K 2005-12-22 US disclosed
US-6969766-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2005-11-29 US disclosed
US-20050250785-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-11-10 US disclosed
US-20050250786-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-11-10 US disclosed
US-20030225252-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2003-12-04 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-20060030709-A1 Peptide nucleic acid monomers; 1-(4-(benzothiazolyl-, benzoxazolyl-, benzofuranyl-, and benzothiophenyl- sulfonyl)piperidin-3-one-1-ylcarbonylmethyl)adenines; suitable for automatic and parallel synthesis; increased yields RNGTT, POLL, RNMT RAB9A 3709/4885IRAK4 2531/4885CXCR3 2185/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL RAB9A 3554/4885IRAK4 3952/4885CXCR3 1471/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL RAB9A 3554/4885IRAK4 3952/4885CXCR3 1471/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL RAB9A 3709/4885IRAK4 3899/4885CXCR3 1600/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL RAB9A 3554/4885IRAK4 3952/4885CXCR3 1471/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 RAB9A 3805/4885IRAK4 4219/4885CXCR3 1805/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR RAB9A 3626/4885IRAK4 3973/4885CXCR3 972/4885

“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.