SCHEMBL21581801

SCHEMBL21581801

Nc1nc(-c2ccccc2)c(-c2ccncc2)c2nncn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 20/20 1.00
▸ ADORA1 P30542 6/20 0.69
▸ ADORA3 P0DMS8 3/20 0.64
▸ ADORA2B P29275 4/20 0.62

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
SCHEMBL21581744 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL21581799 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL29502733 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL29502743 0.83 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL21581848 0.82 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL21581745 0.81 ADORA2A (0.69) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL21583434 0.79 ADORA2A (0.87) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL21583420 0.79 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL21581808 0.78 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL11146964 0.77 ADORA2A (0.67) ADORA2AADORA1ADORA3ADORA2B

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
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
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

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 1/4885ADORA1 2/4885ADORA3 3/4885
US-20210032224-A1 HETEROARYL[4,3-C]PYRIMIDINE-5-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF TBXA2R, ADORA1, ADORA2A ADORA2A 3/4885ADORA1 2/4885ADORA3 4/4885

“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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