SCHEMBL21583535

SCHEMBL21583535

CC1(C)OB(c2cc(F)c3[nH]ncc3c2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.37
LIPG Q9Y5X9 9/20 0.37
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
LRRK2 Q5S007 1/20 0.32
ROCK1 Q13464 1/20 0.32
TRPA1 O75762 1/20 0.32
FFAR1 O14842 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
EGFR P00533 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
SCHEMBL20085466 0.84 TRPA1 (0.40) LPLLIPGGSK3AGSK3BTRPA1
SCHEMBL31620771 0.84 TRPA1 (0.40) LPLLIPGGSK3AGSK3BTRPA1
SCHEMBL16722737 0.82 NOS1 (0.39) LPLLIPGGSK3AGSK3BFFAR1
SCHEMBL29502769 0.82 TRPA1 (0.42) LPLLIPGGSK3AGSK3BTRPA1
SCHEMBL20088492 0.82 TRPA1 (0.42) LPLLIPGGSK3AGSK3BTRPA1
SCHEMBL24147853 0.80 LPL (0.35) LPLLIPGGSK3AGSK3BTRPA1
SCHEMBL30483068 0.80 LPL (0.35) LPLLIPGGSK3AGSK3BTRPA1
SCHEMBL24147798 0.79 LRRK2 (0.33) LPLLIPGGSK3AGSK3BLRRK2
SCHEMBL30483028 0.79 LRRK2 (0.33) LPLLIPGGSK3AGSK3BLRRK2
SCHEMBL16728595 0.77 LPL (0.37) LPLLIPGGSK3AGSK3BROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022133037-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2022-06-23 WO disclosed
US-11312705-B2 Heteroaryl[4,3-C]pyrimidine-5-amine derivative, preparation method therefor, and medical uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-04-26 US disclosed
US-11312705-B2 Heteroaryl[4,3-C]pyrimidine-5-amine derivative, preparation method therefor, and medical uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-04-26 US disclosed
CN-109963854-B Heteroaryl [4,3-c ] pyrimidine-5-amine derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-04-12 CN disclosed
CN-109890823-B Fused azaheterocyclic compounds and their use as AMPA receptor modulators 詹森药业有限公司 2021-11-30 CN disclosed
US-20210032224-A1 HETEROARYL[4,3-C]PYRIMIDINE-5-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2021-02-04 US disclosed
EP-3532476-B1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-19 EP disclosed
EP-3575301-A1 HETEROARYL[4,3-C]PYRIMIDINE-5-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2019-12-04 EP disclosed
US-10155769-B2 Fused azaheterocyclic compounds and their use as AMPA receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2018-12-18 US disclosed
US-20180111942-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-26 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 (4 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-10155769-B2 Fused azaheterocyclic compounds and their use as AMPA receptor modulators GRIN3A, GRIN1, GRIN2B LPL 4152/4885LIPG 2805/4885GSK3A 3895/4885
US-11312705-B2 Heteroaryl[4,3-C]pyrimidine-5-amine derivative, preparation method therefor, and medical uses thereof ADORA2A, ADORA1, ADORA3 LPL 2729/4885LIPG 2740/4885GSK3A 1633/4885
US-20180111942-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN3A, GRIN1, GRIN2B LPL 4152/4885LIPG 2805/4885GSK3A 3895/4885
US-20210032224-A1 HETEROARYL[4,3-C]PYRIMIDINE-5-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF TBXA2R, ADORA1, ADORA2A LPL 2040/4885LIPG 1725/4885GSK3A 4249/4885

“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.