SCHEMBL21731151

SCHEMBL21731151

Nc1nc(-c2ccccc2)c(C2CCNCC2)c2ncnn12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 5/20 0.41
▸ GABRB2 P47870 5/20 0.41
▸ PLAT P00750 3/20 0.39
▸ TNK2 Q07912 4/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ ACVRL1 P37023 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ NSD3 Q9BZ95 1/20 0.36
▸ CHEK1 O14757 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35

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
SCHEMBL21731152 0.86 HSD17B10 (0.38) TNK2SRCPIK3CD
SCHEMBL21731155 0.79 ADORA2A (0.40) TNK2
SCHEMBL21731318 0.76 CKS1B (0.49) TNK2EGFRSRCPIK3CD
SCHEMBL10430692 0.74 XDH (0.42) EGFRSRCCHEK1CCNA2CDK2
SCHEMBL11146247 0.72 KDM4E (0.42) EGFRSRC
SCHEMBL21731040 0.72 SRC (0.38) TNK2EGFRSRCCHEK1CCNA2
SCHEMBL10430710 0.72 KDM5A (0.37) TNK2EGFRSRC
SCHEMBL24129965 0.70 ADORA2A (0.54) HTR2AHTR2CKCNH2CHEK1CCNA2
SCHEMBL11151560 0.69 KDM5A (0.40) TNK2EGFRSRCPIK3CD
SCHEMBL9381563 0.69 ADORA2A (0.35) TNK2EGFRSRCCHEK1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611174-B1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC (CN) 2022-06-08 — — EP disclosed
US-11117899-B2 [1,2,4]triazolo[1,5-c]pyrimidine derivative as A2A receptor inhibitor MEDSHINE DISCOVERY INC. (CN) 2021-09-14 — — US disclosed
US-11066411-B2 — — 2021-07-20 — — US disclosed
US-20200131184-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2020-04-30 — — US disclosed
EP-3611174-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR Medshine Discovery Inc. (CN) 2020-02-19 — — 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 (3 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-11117899-B2 [1,2,4]triazolo[1,5-c]pyrimidine derivative as A2A receptor inhibitor ADORA2A, ADORA1, ADORA3 GABRA1 198/4885GABRB2 385/4885PLAT 1901/4885
US-11066411-B2 — ADORA2A, ADORA1, ADORA2B GABRA1 184/4885GABRB2 253/4885PLAT 3365/4885
US-20200131184-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR ADORA2A, ADORA1, ADORA3 GABRA1 198/4885GABRB2 385/4885PLAT 1901/4885

“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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