SCHEMBL21266089

SCHEMBL21266089

O=Cc1cccc(COCc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
KCNH2 Q12809 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.37
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36
AR P10275 3/20 0.35
BRD4 O60885 1/20 0.35
APP P05067 1/20 0.35
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNB3 Q8WWL7 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
SCHEMBL18003154 0.83 AR (0.42) MAOAMAOBAR
SCHEMBL11818083 0.78 KCNH2 (0.66) KCNH2MAOAMAOBSMN1; SMN2BRD4
SCHEMBL29600898 0.76 F2R (0.41) KCNH2
SCHEMBL20442093 0.76 F2R (0.41) KCNH2
SCHEMBL5905720 0.75 MAOA (0.47) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL15503212 0.75 NCF1 (0.34) KCNH2
SCHEMBL1058939 0.75 KIF11 (0.38) KCNH2SMN1; SMN2
SCHEMBL18003463 0.75 TERT (0.38)
SCHEMBL7567595 0.75 TSHR (0.54) TSHRKCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL22342593 0.74 KCNH2 (0.50) KCNH2MAOAMAPT

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 5 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

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-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 1399/4885MAOA 304/4885

“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.