Sugi Predict

Sugi Predict / Compounds / SCHEMBL536795

SCHEMBL536795

SCHEMBL536795

CC(=O)Nc1nc(OC(=O)N(c2ccccc2)c2ccccc2)c2[nH]cnc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 3/20 0.43
▸ GDA Q9Y2T3 1/20 0.41
▸ STAT3 P40763 4/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CDK2 P24941 6/20 0.38
▸ CDK1 P06493 5/20 0.38
▸ CCNB2 O95067 4/20 0.38
▸ CCNB1 P14635 4/20 0.38
▸ CCNA2 P20248 4/20 0.38
▸ CCNA1 P78396 4/20 0.38
▸ CCNB3 Q8WWL7 4/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MGMT P16455 2/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ CHEK1 O14757 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
SCHEMBL8715386 0.99 NEK2 (0.42) NEK2GDASTAT3NPSR1CDK2
SCHEMBL31059170 0.83 NPSR1 (0.41) NPSR1ATMTDP1L3MBTL1ADORA3
SCHEMBL803116 0.83 NPSR1 (0.41) NPSR1ATMTDP1L3MBTL1ADORA3
SCHEMBL18941357 0.82 NPSR1 (0.38) NPSR1ATMTDP1L3MBTL1ADORA3
SCHEMBL8711632 0.81 NEK2 (0.45) NEK2GDASTAT3CDK2CDK1
SCHEMBL9804043 0.81 CDK1 (0.55) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL8064272 0.79 NPSR1 (0.36) NPSR1ATMTDP1L3MBTL1ADORA3
SCHEMBL3303363 0.79 PIN1 (0.59) GDASTAT3CDK2CDK1CCNB2
SCHEMBL536809 0.73 NPSR1 (0.38) NPSR1ATMTDP1L3MBTL1ADORA3
SCHEMBL29552357 0.72 ADORA1 (0.41) NPSR1ATMTDP1L3MBTL1ADORA3

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605713-B1 Contacting D-nucleic acids with a racemic mixture of the target molecule and allow for binding; producing L-nucleic acids; in vitro selection of DNA/RNA with high binding affinity and stability FURSTE JENS PETER (DE) 2003-08-12 — — US claimed
US-5688778-A VIRICIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1997-11-18 — — US claimed
CN-111566120-B 3' cyclic dinucleotides with phosphonate bonds of activated STING adaptor protein 捷克共和国有机化学与生物化学研究所 2023-09-29 — — CN disclosed
CN-111511754-B 2'3' cyclic dinucleotides with phosphonate bonds of activated STING adaptor protein 捷克共和国有机化学与生物化学研究所 2023-09-12 — — CN disclosed
US-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 — — US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 — — US disclosed
EP-3226861-A2 COMPOUNDS FOR TREATING CYSTIC FIBROSIS Centre National de la Recherche Scientifique (CNRS) (FR) 2017-10-11 — — EP disclosed
WO-2016087665-A2 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-06-09 — — WO disclosed
EP-2415777-B1 PROCESS FOR PRODUCING NUCLEOSIDE TAKEDA PHARMACEUTICAL (JP) 2015-07-29 — — EP disclosed
US-8653254-B2 Process for producing nucleoside TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-02-18 — — US disclosed
EP-2458005-A1 FGF21 CIS-ELEMENT BINDING SUBSTANCE Galaxy Pharma Inc. (JP) 2012-05-30 — — EP disclosed
US-5925756-A Cyclopropane derivatives and method of preparing the same AJINOMOTO CO., INC. (JP) 1999-07-20 — — US disclosed
US-5821357-A REACTING ALPHA-ANOMER ENRICHED 2,2-DIFLUOROCARBOHYDRATE WITH AT LEAST TWO MOLAR EQUIVALENTS OF METAL DERIVATIVE OF NUCLEOBASE IN LOW FREEZING INERT SOLVENT ELI LILLY AND COMPANY (US) 1998-10-13 — — US disclosed
US-5808134-A Cyclopropane derivatives and method of preparing the same AJINOMOTO CO., LTD. (JP) 1998-09-15 — — US disclosed
US-5777116-A Cyclopropane derivatives and method of preparing the same AJINOMOTO CO., INC. (JP) 1998-07-07 — — US disclosed
EP-0577303-B1 Stereoselective glycosylation process LILLY CO ELI (US) 1997-10-01 — — EP disclosed
US-5556994-A Cyclopropane derivatives and method of preparing the same AJINOMOTO CO., INC. (JP) 1996-09-17 — — US disclosed
EP-0675123-A1 Cyclopropane derivatives and method of preparing the same Ajinomoto Co., Inc. (JP) 1995-10-04 — — EP disclosed
EP-0577303-A1 Stereoselective glycosylation process ELI LILLY AND COMPANY (US) 1994-01-05 — — EP disclosed
US-5153318-A Viricides for hepatitis and human t-cell leukemia/lymphoma viruses BURROUGHS WELLCOME CO. (US) 1992-10-06 — — 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 (2 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-10414768-B2 Compounds for treating cystic fibrosis CFTR, ABCB11, SLC26A4 NEK2 3908/4885GDA 2017/4885STAT3 2196/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 NEK2 3908/4885GDA 2017/4885STAT3 2196/4885

“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.