SCHEMBL21731152

SCHEMBL21731152

Nc1nc(-c2ccccc2)c(C2CCOCC2)c2ncnn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TNK2 Q07912 6/20 0.38
▸ PIK3CD O00329 5/20 0.37
▸ CASP1 P29466 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ ADORA2A P29274 2/20 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
SCHEMBL21731151 0.86 GABRA1 (0.41) TNK2PIK3CDSRC
SCHEMBL21731155 0.81 ADORA2A (0.40) HSD17B10TSHRALDH1A1KDM4EHPGD
SCHEMBL21731318 0.76 CKS1B (0.49) KDM4ETNK2PIK3CDMEN1KMT2A
SCHEMBL10430692 0.74 XDH (0.42) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL11146247 0.72 KDM4E (0.42) HSD17B10TSHRALDH1A1KDM4EHPGD
SCHEMBL21731040 0.72 SRC (0.38) ALDH1A1KDM4EHPGDTNK2LMNA
SCHEMBL21932589 0.72 PIK3CA (0.39) PIK3CDADORA2AADORA2B
SCHEMBL10430710 0.72 KDM5A (0.37) TSHRALDH1A1KDM4ETNK2LMNA
SCHEMBL9378832 0.69 ALDH1A1 (0.36) HSD17B10ALDH1A1KDM4EHPGDTNK2
SCHEMBL11151560 0.69 KDM5A (0.40) ALDH1A1KDM4ETNK2PIK3CDLMNA

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 HSD17B10 4152/4885TSHR 74/4885ALDH1A1 505/4885
US-11066411-B2 — ADORA2A, ADORA1, ADORA2B HSD17B10 2560/4885TSHR 113/4885ALDH1A1 494/4885
US-20200131184-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR ADORA2A, ADORA1, ADORA3 HSD17B10 4152/4885TSHR 74/4885ALDH1A1 505/4885

“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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