Sugi Predict

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SCHEMBL3296743

SCHEMBL3296743

Cc1csc(-c2nc(N)c3cc(C(=O)N4CCOCC4)sc3n2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 10/20 0.64
▸ ADORA1 P30542 7/20 0.50
▸ RAB9A P51151 9/20 0.46
▸ NPC1 O15118 8/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ GAA P10253 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ MAPT P10636 4/20 0.43
▸ TP53 P04637 4/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ USP2 O75604 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ HTT P42858 2/20 0.43

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
SCHEMBL3296688 0.86 ADORA2A (0.54) ADORA2AADORA1RAB9ANPC1KMT2A
SCHEMBL13389229 0.86 ADORA2A (0.55) ADORA2AADORA1RAB9ANPC1SMN1; SMN2
SCHEMBL13389395 0.86 ADORA2A (0.48) ADORA2AADORA1RAB9ANPC1SMN1; SMN2
SCHEMBL3302988 0.85 ADORA2A (0.47) ADORA2AADORA1RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL3302026 0.85 ADORA2A (0.54) ADORA2AADORA1RAB9ANPC1SMN1; SMN2
SCHEMBL3300604 0.85 ADORA2A (0.53) ADORA2AADORA1NPC1SMN1; SMN2KDM4E
SCHEMBL3301710 0.83 ADORA2A (0.64) ADORA2AADORA1RAB9ANPC1SMN1; SMN2
SCHEMBL3300642 0.82 ADORA2A (0.50) ADORA2AADORA1RAB9ANPC1KDM4E
SCHEMBL3348239 0.81 ADORA2A (0.70) ADORA2AADORA1RAB9ANPC1KDM4E
SCHEMBL3302932 0.80 RAB9A (0.46) ADORA2AADORA1RAB9ANPC1SMN1; SMN2

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
WO-2010045008-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 — — WO disclosed
WO-2010045008-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 — — WO disclosed
US-20100093714-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 — — US disclosed
US-20100093714-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 — — US disclosed
US-20100093714-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 — — 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 (1 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-20100093714-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA1 4/4885RAB9A 1239/4885

“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.