SCHEMBL9898935

SCHEMBL9898935

COCC1(NC(=O)OC(C)(C)C)CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.34
KMT2A Q03164 2/20 0.33
CTSL P07711 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
PPIA P62937 1/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
APLNR P35414 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CTSK P43235 1/20 0.30
DGAT1 O75907 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL9175696 0.91 P2RX7 (0.33) P2RX7KMT2ACTSLMEN1MAPK1
SCHEMBL89757 0.89 PPIA (0.37) P2RX7KMT2ACTSLMEN1MAPK1
SCHEMBL2809077 0.86 P2RX7 (0.41) P2RX7KMT2ACTSLMEN1MAPK1
SCHEMBL17606749 0.84 TDP1 (0.36) P2RX7KMT2ACTSLMEN1MAPK1
SCHEMBL6703818 0.84 P2RX7 (0.35) P2RX7KMT2ACTSLMEN1MAPK1
SCHEMBL28074491 0.84 CTSK (0.33) P2RX7KMT2ACTSLMEN1MAPK1
SCHEMBL22015821 0.83 APLNR (0.36) P2RX7KMT2ACTSLMEN1MAPK1
SCHEMBL23538780 0.82 P2RX7 (0.34) P2RX7KMT2ACTSLMEN1MAPK1
SCHEMBL29420344 0.82 USP2 (0.38) P2RX7KMT2ACTSLMEN1MAPK1
SCHEMBL23538650 0.82 P2RX7 (0.34) P2RX7KMT2ACTSLMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114787167-B Compounds and compositions for the treatment of parasitic diseases 诺华股份有限公司 2024-06-21 CN disclosed
US-11597733-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2023-03-07 US disclosed
US-11597733-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2023-03-07 US disclosed
CN-114787167-A Compounds and compositions for the treatment of parasitic diseases 诺华股份有限公司 2022-07-22 CN disclosed
WO-2021078120-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-29 WO disclosed
US-20210115065-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-22 US disclosed
US-20210115065-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-22 US disclosed
EP-2511276-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE Ube Industries, Ltd. (JP) 2012-10-17 EP disclosed
EP-2511276-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE Ube Industries, Ltd. (JP) 2012-10-17 EP disclosed
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2012-06-14 US disclosed
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2012-06-14 US disclosed
CN-102482281-A Pyrrolo [2,3-D ] pyrimidine derivatives DAIICHI SANKYO CO LTD 2012-05-30 CN 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 (3 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-11597733-B2 Compounds and compositions for the treatment of parasitic diseases ABCB11, SQLE, FURIN P2RX7 2570/4885KMT2A 1436/4885CTSL 1066/4885
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE ERBB2, EGFR, FGFR1 P2RX7 2144/4885KMT2A 3467/4885CTSL 484/4885
US-20210115065-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES ABCB11, SQLE, FURIN P2RX7 2570/4885KMT2A 1436/4885CTSL 1066/4885

“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.