SCHEMBL7533053

SCHEMBL7533053

COCCc1ncccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
POLB P06746 2/20 0.35
KDM1A O60341 1/20 0.35
NAAA Q02083 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LDHA P00338 1/20 0.33
PKM P14618 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL25669981 0.79 TLR7 (0.32)
SCHEMBL28533907 0.78 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL20970324 0.76 NAAA (0.32) NAAAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6937537 0.76 LMNA (0.33) TSHRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2373255 0.76 HCAR2 (0.30)
SCHEMBL790706 0.76
SCHEMBL16619821 0.75 NAAA (0.32) NAAA
SCHEMBL25667981 0.75 APLNR (0.46)
SCHEMBL28128988 0.74 TSHR (0.35) TSHRALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL1355692 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020037873-A1 Biologically active phosphotriester-type compounds CENTRE NATIONAL DE LA RECHERCH SIENTIFIQUE 2002-03-28 US claimed
US-5849905-A Biologically active phosphotriester-type nucleosides and methods for preparing same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-12-15 US claimed
US-5770725-A USES NOVEL GROUP, CHARACTERIZED BY THE PRESENCE OF-S-S-AND/OR S-C=Z (Z=O OR S) ENZYME LABILE BONDS WHICH LEADS, AFTER ENZYMATIC ACTIVATION, TO THE FORMATION OF UNSTABLE INTERMEDIATE WHICH RELEASES MONOPHOSPHATE OR MONOPHOSPHONATE CENTER NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1998-06-23 US claimed
WO-1998011121-A1 BIOLOGICALLY ACTIVE PHOSPHOTRIESTER-TYPE COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1998-03-19 WO claimed
US-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 US disclosed
US-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 US disclosed
CN-116014240-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2023-04-25 CN disclosed
WO-2023274383-A1 KRAS G12D INHIBITOR AND USE THEREOF 上海迪诺医药科技有限公司 2023-01-05 WO disclosed
EP-2545055-B1 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2017-08-09 EP 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 (1 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-20230203018-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS TSHR 2016/4885POLB 653/4885KDM1A 862/4885

“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.