SCHEMBL7147178

SCHEMBL7147178

OCC(O)Cn1cccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
FDPS P14324 1/20 0.52
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
JAK2 O60674 8/20 0.33
JAK1 P23458 8/20 0.33
TYK2 P29597 8/20 0.33
JAK3 P52333 8/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
NLRP3 Q96P20 1/20 0.33
NOS1 P29475 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
HTT P42858 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
SCHEMBL23540099 1.00 TSHR (0.53) TSHRFDPSHDAC1HDAC6MAPT
SCHEMBL3768453 0.89 TSHR (0.58) TSHRFDPSHDAC1HDAC6MAPT
SCHEMBL16889129 0.83 TSHR (0.53) TSHRFDPSHDAC1HDAC6JAK2
SCHEMBL3773335 0.82 TSHR (0.51) TSHRFDPSHDAC1HDAC6JAK2
SCHEMBL31087987 0.80
SCHEMBL20099935 0.80 TSHR (0.42) TSHRFDPSHDAC1HDAC6MAPT
SCHEMBL16885285 0.79 TSHR (0.49) TSHRFDPSHDAC1HDAC6JAK2
SCHEMBL20278976 0.78 FDPS (0.50) TSHRFDPSHDAC1HDAC6JAK2
SCHEMBL21996535 0.78 FDPS (0.50) TSHRFDPSHDAC1HDAC6JAK2
SCHEMBL16169041 0.78 FDPS (0.50) TSHRFDPSHDAC1HDAC6JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217071-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES Erasca, Inc. (US) 2023-08-02 EP disclosed
EP-4076667-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES Erasca, Inc. (US) 2022-10-26 EP disclosed
EP-3985005-A1 FUSED RING COMPOUND AS FGFR AND VEGFR DUAL INHIBITOR Medshine Discovery Inc. (CN) 2022-04-20 EP disclosed
WO-2021127404-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2021-06-24 WO disclosed
WO-2020249096-A1 FUSED RING COMPOUND AS FGFR AND VEGFR DUAL INHIBITOR 南京明德新药研发有限公司 2020-12-17 WO disclosed
WO-2020135878-A1 IMIDAZOPYRIDINE DERIVATIVE AS FGFR AND VEGFR DUAL INHIBITOR 南京明德新药研发有限公司 2020-07-02 WO disclosed
EP-3227297-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS Array Biopharma, Inc. (US) 2017-10-11 EP disclosed
WO-2016090285-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-06-09 WO disclosed
US-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS THE INSTITUTE OF MOLECULAR MEDICINE (IN) 2011-03-10 US disclosed
US-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS THE INSTITUTE OF MOLECULAR MEDICINE (IN) 2011-03-10 US disclosed
US-20030065146-A1 Monomeric diols, phosphate linked oligomers formed therefrom and processes for preparing COOK PHILLIP D (US) 2003-04-03 US disclosed
US-6448373-B1 INHIBITORS OF ENZYMES SUCH AS PHOSPHOLIPASE A2; TREATMENT OF INFLAMMATORY DISEASES INCLUDING ATOPIC DERMATITIS AND INFLAMMATORY BOWEL DISEASE ISIS PHARMACEUTICALS, INC. 2002-09-10 US disclosed
EP-0739351-B1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS INC (US) 2002-04-10 EP disclosed
US-5886177-A ETHYLENE GLYCOL MONOMERS JOINED VIA STANDARD PHOSPHATE LINKAGES INCLUDING PHOSPHOROTHIOATE, PHOSPHODIESTER, AND PHOSPHORAMIDATE LINKAGES; USEFUL FUNCTIONAL GROUPS INCLUDE NUCLEOBASES AS WELL AS POLAR GROUPS, HYDROPHOBIC GROUPS ISIS PHARMACEUTICALS, INC. (US) 1999-03-23 US disclosed
EP-0739351-A4 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS INC (US) 1998-10-21 EP disclosed
EP-0739351-A1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 1996-10-30 EP disclosed
WO-1995018820-A1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 1995-07-13 WO 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-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS NQO1, NQO2, NDUFV1 TSHR 4507/4885FDPS 705/4885HDAC1 1925/4885
US-20030065146-A1 Monomeric diols, phosphate linked oligomers formed therefrom and processes for preparing BPGM, PPIP5K2, PGM2 TSHR 4488/4885FDPS 72/4885HDAC1 4393/4885

“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.