SCHEMBL7567595

SCHEMBL7567595

OCc1cccc(COCc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
KCNH2 Q12809 2/20 0.47
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA7 P43166 1/20 0.39
TRPV3 Q8NET8 1/20 0.38
CA12 O43570 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL18003149 0.81 IDO1 (0.44) TRPV3
SCHEMBL29954733 0.78 TSHR (0.48) TSHRKCNH2KDM4EPOLBL3MBTL1
SCHEMBL7840899 0.77 TRPV3 (0.59) TSHRKCNH2L3MBTL1TRPV3CYP4F2
SCHEMBL5106055 0.77 BRD4 (0.53) TSHRKCNH2KDM4EL3MBTL1RAB9A
SCHEMBL21945101 0.77 TACR1 (0.50) TRPV3
Benzyl Alcohol SCHEMBL10457557 0.76 TSHR (0.75) TSHRKDM4EPOLBL3MBTL1CA1
SCHEMBL16259461 0.76 TSHR (0.46) TSHRKCNH2L3MBTL1NPC1RAB9A
SCHEMBL7563711 0.76 TSHR (0.46) TSHRKCNH2KDM4EPOLBL3MBTL1
SCHEMBL486201 0.76 CCR1 (0.55) TSHRKCNH2
SCHEMBL16259462 0.76 MAOB (0.43) TSHRKCNH2

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
CN-111511745-B Pyrazolo [1,5-a ] [1, 3, 5] triazine-2-amine derivative, and preparation method and application thereof 江苏恒瑞医药股份有限公司 2022-05-27 CN disclosed
US-20210032253-A1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE-2-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-02-04 US disclosed
EP-3750891-A1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE-2-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2020-12-16 EP disclosed
CN-111511745-A Pyrazolo [1,5-a ] [1,3,5] triazine-2-amine derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2020-08-07 CN disclosed
WO-2019154294-A1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE-2-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2019-08-15 WO disclosed
CN-1391577-A Pharmaceutical compositions comprising metal complexes ANORMED INC (CA) 2003-01-15 CN disclosed
US-20020049190-A1 Pharmaceutical compositions comprising metal complexes ANORMED INC. (CA) 2002-04-25 US disclosed
EP-1163247-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING METAL COMPLEXES ANORMED INC. (CA) 2001-12-19 EP disclosed
WO-2000056743-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING METAL COMPLEXES ANORMED INC. (CA) 2000-09-28 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-20210032253-A1 PYRAZOLO[1,5-A][1,3,5]TRIAZINE-2-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF ADORA2A, ADORA1, ADORA2B TSHR 455/4885KCNH2 1399/4885KDM4E 4505/4885
US-20020049190-A1 Pharmaceutical compositions comprising metal complexes CFD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, F12 TSHR 665/4885KCNH2 2011/4885KDM4E 2866/4885

“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.