SCHEMBL21733962

SCHEMBL21733962

CC1(C)OB(c2ccnc(-c3cnn(C4CCCCO4)c3)c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.41
FLT3 P36888 2/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
MCL1 Q07820 1/20 0.40
KDM5B Q9UGL1 1/20 0.39
SYK P43405 1/20 0.38
AURKB Q96GD4 1/20 0.38
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
JAK2 O60674 6/20 0.34
JAK1 P23458 6/20 0.34
TYK2 P29597 5/20 0.34
JAK3 P52333 5/20 0.34
DDR2 Q16832 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
ACVRL1 P37023 1/20 0.30
ACVR1 Q04771 1/20 0.30

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
SCHEMBL31227254 0.84 MCL1 (0.41) FGFR1FLT3FGFR2FGFR4FGFR3
SCHEMBL24643242 0.83 LIPG (0.42) FGFR1FLT3FGFR2FGFR4FGFR3
SCHEMBL23408323 0.81 FGFR1 (0.42) FGFR1FLT3FGFR2FGFR4FGFR3
SCHEMBL38657565 0.81 CYP4F2 (0.47) CYP4F2CYP4A11ATR
SCHEMBL760525 0.80 FFAR1 (0.42) FGFR1FLT3FGFR2FGFR4FGFR3
SCHEMBL31488070 0.80 FFAR1 (0.42) FGFR1FLT3FGFR2FGFR4FGFR3
SCHEMBL21425478 0.80 KDM5B (0.42) FGFR1FLT3FGFR2FGFR4FGFR3
SCHEMBL24942601 0.79 MCL1 (0.42) FGFR1FLT3FGFR2FGFR4FGFR3
SCHEMBL29483218 0.78 FLT3 (0.44) FGFR1FLT3FGFR2FGFR4FGFR3
SCHEMBL20074518 0.78 ACVR1B (0.42) FGFR3KDRJAK2JAK1TYK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 FGFR1 218/4885FLT3 1271/4885FGFR2 103/4885
US-20200055852-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TGFBR1, TGFB2, TGFB1 FGFR1 218/4885FLT3 1271/4885FGFR2 103/4885

“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.