SCHEMBL21704518

SCHEMBL21704518

CCOC(=O)c1c(C=O)nc(SC)nc1-c1ccc(C)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ ADORA2B P29275 1/20 0.39
▸ PKM P14618 6/20 0.38
▸ TSHR P16473 5/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LMNA P02545 1/20 0.37

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
SCHEMBL21704520 0.86 ALDH1A1 (0.46) MAPTALDH1A1KMT2AMEN1HSD17B10
SCHEMBL21704471 0.83 ADORA2B (0.58) MAPTALDH1A1KMT2AMEN1HSD17B10
SCHEMBL21704331 0.83 ALDH1A1 (0.44) MAPTALDH1A1KMT2AMEN1HSD17B10
SCHEMBL30726179 0.77 SMN1; SMN2 (0.42) MAPTALDH1A1KMT2AMEN1HSD17B10
SCHEMBL26620710 0.77 SMN1; SMN2 (0.42) MAPTALDH1A1KMT2AMEN1HSD17B10
SCHEMBL25366055 0.74 MAPT (0.41) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL30558043 0.74 MAPT (0.41) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL30558061 0.73 SMN1; SMN2 (0.39) MAPTALDH1A1KMT2AMEN1HSD17B10
SCHEMBL25365319 0.73 SMN1; SMN2 (0.39) MAPTALDH1A1KMT2AMEN1HSD17B10
SCHEMBL30558064 0.73 SMN1; SMN2 (0.39) MAPTALDH1A1KMT2AMEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066413-B2 Aminopyrimidine five-membered heterocyclic compound, and intermediate, preparation method, pharmaceutical composition and application thereof GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2021-07-20 — — US disclosed
US-20200048270-A1 AMINOPYRIMIDINE FIVE-MEMBERED HETEROCYCLIC COMPOUND, AND INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2020-02-13 — — US 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-20200048270-A1 AMINOPYRIMIDINE FIVE-MEMBERED HETEROCYCLIC COMPOUND, AND INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ADORA2A, ADORA2B, ADORA3 MAPT 3153/4885ALDH1A1 939/4885KMT2A 2625/4885
US-11066413-B2 Aminopyrimidine five-membered heterocyclic compound, and intermediate, preparation method, pharmaceutical composition and application thereof ADORA2A, ADORA2B, ADORA3 MAPT 3153/4885ALDH1A1 939/4885KMT2A 2625/4885

“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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