SCHEMBL1106469

SCHEMBL1106469

CC(C)n1cc(Cl)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 0.38
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
PTGS2 P35354 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.35
BMPR1A P36894 7/20 0.35
ACVRL1 P37023 7/20 0.35
ACVR1 Q04771 7/20 0.35
BMPR1B O00238 6/20 0.35
TGFBR1 P36897 5/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL7474413 0.83 PTGS2 (0.38) PTGDR2ALDH1A1KDM4ETDP1ALOX15
SCHEMBL1106491 0.76 KDM4E (0.44) PTGDR2ALDH1A1KDM4EADORA2AADORA1
SCHEMBL10119732 0.74 PTGS2 (0.47) PTGDR2ALDH1A1KDM4ETDP1ADORA2A
SCHEMBL20048155 0.74 ADORA2A (0.44) PTGDR2ADORA2AADORA1PTGS2BMPR1A
SCHEMBL27446368 0.74 PTGS2 (0.40) PTGDR2ALDH1A1KDM4EADORA2AADORA1
SCHEMBL506044 0.74 ADORA2A (0.38) PTGDR2ALDH1A1ADORA2AADORA1PTGS2
SCHEMBL1106476 0.74 ADORA2A (0.51) PTGDR2ADORA2AADORA1PTGS2BMPR1A
SCHEMBL628269 0.74 ADORA2A (0.38) PTGDR2ADORA2AADORA1PTGS2BMPR1A
SCHEMBL14757564 0.74 ADORA2A (0.38) PTGDR2ADORA2AADORA1PTGS2BMPR1A
SCHEMBL29174325 0.72 LMNA (0.40) ALDH1A1KDM4ETDP1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 US disclosed
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 US disclosed
US-20240217951-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-04 US disclosed
WO-2024126773-A1 IMIDAZO[4,5-B]PYRIDINE DERIVATIVES AS PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-06-20 WO disclosed
WO-2024062090-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-03-28 WO disclosed
WO-2024062089-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-03-28 WO disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
US-9770452-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-26 US disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20110319412-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISM SHIONOGI & CO., LTD. (JP) 2011-12-29 US disclosed
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2011-07-07 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 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 (9 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-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 PTGDR2 265/4885ALDH1A1 1375/4885KDM4E 2704/4885
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD PTGDR2 414/4885ALDH1A1 269/4885KDM4E 3088/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PTGDR2 2260/4885ALDH1A1 974/4885KDM4E 2875/4885
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 PTGDR2 3921/4885ALDH1A1 3112/4885KDM4E 3520/4885
US-20240217951-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 PTGDR2 4139/4885ALDH1A1 1920/4885KDM4E 3138/4885
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 PTGDR2 2042/4885ALDH1A1 3041/4885KDM4E 646/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PTGDR2 2260/4885ALDH1A1 974/4885KDM4E 2875/4885
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 PTGDR2 265/4885ALDH1A1 1375/4885KDM4E 2704/4885
US-20110319412-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISM NPY5R, NPY1R, NPY2R PTGDR2 561/4885ALDH1A1 3975/4885KDM4E 1027/4885

“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.