SCHEMBL20074744

SCHEMBL20074744

O=C(NC1CCOCC1)c1ccc(-c2cc(B(O)O)ccn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.56
MAPK14 Q16539 1/20 0.56
KDR P35968 3/20 0.48
ATR Q13535 2/20 0.48
HDAC4 P56524 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPKAPK2 P49137 3/20 0.46
DYRK1B Q9Y463 1/20 0.45
KDM1A O60341 1/20 0.43
TTK P33981 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
EIF4E P06730 1/20 0.42

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
SCHEMBL20074742 0.84 TGFBR1 (0.58) TGFBR1MAPK14KDRATRHDAC4
SCHEMBL24307575 0.81 TGFBR1 (0.55) TGFBR1MAPK14KDRATRHDAC4
SCHEMBL25946718 0.81 TGFBR1 (0.55) TGFBR1MAPK14KDRATRHDAC4
SCHEMBL24307405 0.81 TGFBR1 (0.58) TGFBR1MAPK14KDRATRHDAC4
SCHEMBL15299247 0.80 NAMPT (0.51) HDAC4HDAC6KDM1AMEN1NPC1
SCHEMBL5956512 0.75 TGFBR1 (0.59) TGFBR1MAPK14KDRATRHDAC4
SCHEMBL14082343 0.74 MAPKAPK2 (0.54) TGFBR1MAPK14HDAC6MAPKAPK2DYRK1B
SCHEMBL17992417 0.72 TGFBR1 (0.62) TGFBR1MAPK14KDRATRHDAC4
SCHEMBL29521554 0.72 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL29438747 0.72 TGFBR1 (1.00) TGFBR1MAPK14

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-108779115-B Five-membered heteroaromatic ring bridged ring derivative, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2021-02-26 CN disclosed
US-10906905-B2 Five-membered heteroaryl ring bridged ring derivative, preparation method therefor and medical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-02-02 US disclosed
US-20200055852-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-02-20 US disclosed
EP-3527570-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2019-08-21 EP disclosed
WO-2018068759-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2018-04-19 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-10906905-B2 Five-membered heteroaryl ring bridged ring derivative, preparation method therefor and medical use thereof TGFBR1, TGFB2, TGFB1 TGFBR1 1/4885MAPK14 1887/4885KDR 227/4885
US-20200055852-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TGFBR1, TGFB2, TGFB1 TGFBR1 1/4885MAPK14 1887/4885KDR 227/4885

“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.