SCHEMBL21581788

SCHEMBL21581788

Nc1nc(-c2ccccc2)c(-c2ccc3[nH]ncc3c2)c2nncn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 19/20 1.00
▸ ADORA2B P29275 4/20 1.00
▸ ADORA1 P30542 6/20 0.62
▸ ADORA3 P0DMS8 3/20 0.62
▸ DYRK3 O43781 1/20 0.50
▸ CLK1 P49759 1/20 0.50
▸ CLK2 P49760 1/20 0.50
▸ CLK3 P49761 1/20 0.50
▸ GSK3B P49841 1/20 0.50
▸ CDK5 Q00535 1/20 0.50
▸ DYRK1A Q13627 1/20 0.50
▸ CDK5R1 Q15078 1/20 0.50
▸ DYRK2 Q92630 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50
▸ DYRK1B Q9Y463 1/20 0.50

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
SCHEMBL29502723 1.00 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3DYRK3
SCHEMBL21581742 0.82 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
SCHEMBL21581745 0.82 ADORA2A (0.69) ADORA2AADORA2BADORA1ADORA3
SCHEMBL21581821 0.80 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
SCHEMBL21731054 0.79 ADORA2A (0.66) ADORA2AADORA2BADORA1ADORA3DYRK3
SCHEMBL21581808 0.77 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
SCHEMBL21581848 0.76 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
SCHEMBL21581801 0.75 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3
SCHEMBL21583421 0.75 ADORA2A (0.64) ADORA2AADORA2BADORA1ADORA3
SCHEMBL21581744 0.74 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-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
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

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-11312705-B2 Heteroaryl[4,3-C]pyrimidine-5-amine derivative, preparation method therefor, and medical uses thereof ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA2B 4/4885ADORA1 2/4885
US-20210032224-A1 HETEROARYL[4,3-C]PYRIMIDINE-5-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF TBXA2R, ADORA1, ADORA2A ADORA2A 3/4885ADORA2B 8/4885ADORA1 2/4885

“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.

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