SCHEMBL21581815

SCHEMBL21581815

Nc1nc(-c2ccc(F)cc2F)c(Br)c2nncn12

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 18/20 0.66
▸ ADORA2B P29275 13/20 0.60
▸ ADORA1 P30542 11/20 0.58
▸ ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL21581768 0.87 ADORA2A (0.64) ADORA2AADORA2BADORA1
SCHEMBL21581769 0.87 ADORA2A (0.53) ADORA2AADORA2BADORA1
SCHEMBL29502739 0.87 ADORA2A (0.53) ADORA2AADORA2BADORA1
SCHEMBL29502722 0.87 ADORA2A (0.64) ADORA2AADORA2BADORA1
SCHEMBL21583403 0.84 ADORA2A (0.63) ADORA2AADORA2BADORA1ADORA3
SCHEMBL21583412 0.81 ADORA2A (0.63) ADORA2AADORA2BADORA1ADORA3
SCHEMBL29502753 0.80 ADORA2A (1.00) ADORA2AADORA2BADORA1
SCHEMBL21581778 0.80 ADORA2A (1.00) ADORA2AADORA2BADORA1
SCHEMBL21583405 0.79 ADORA2A (0.59) ADORA2AADORA2BADORA1ADORA3
SCHEMBL29502744 0.79 ADORA2A (0.59) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112334473-B Crystal form of heteroaryl [4,3-c ] pyrimidine-5-amine derivative and preparation method thereof 江苏恒瑞医药股份有限公司 2022-05-27 — — CN 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
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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