SCHEMBL20074518

SCHEMBL20074518

Cn1cc(-c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1B P36896 1/20 0.42
TGFBR1 P36897 1/20 0.42
PIM1 P11309 5/20 0.41
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
LRRK2 Q5S007 2/20 0.40
MAPT P10636 1/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
CSF1R P07333 2/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
CHEK1 O14757 1/20 0.37
MKNK1 Q9BUB5 3/20 0.37

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
SCHEMBL15747741 0.81 DGAT1 (0.50) PIM1MAPTJAK2JAK1TYK2
SCHEMBL30434548 0.81 DGAT1 (0.50) PIM1MAPTJAK2JAK1TYK2
SCHEMBL3087464 0.79 FGFR3 (0.59) FGFR3KDR
SCHEMBL15416196 0.78 LIPG (0.43) FFAR1
SCHEMBL21733962 0.78 FGFR1 (0.41) JAK2JAK1TYK2JAK3FGFR3
SCHEMBL15747764 0.78 DGAT1 (0.50) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL15298570 0.78 CYP2A6 (0.39) PIM1KDR
SCHEMBL23347389 0.77 LPL (0.40)
SCHEMBL2216147 0.77 LIPG (0.56) PIM1KDR
SCHEMBL15299291 0.77 LIPG (0.56) MKNK1FFAR1

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 ACVR1B 34/4885TGFBR1 1/4885PIM1 2472/4885
US-20200055852-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TGFBR1, TGFB2, TGFB1 ACVR1B 34/4885TGFBR1 1/4885PIM1 2472/4885

“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.