Sugi Predict

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SCHEMBL3302564

SCHEMBL3302564

COc1ccccc1C(=O)c1cc2c(N)nc(-c3cccc(F)c3)nc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.51
▸ ADORA1 P30542 7/20 0.51
▸ DHPS P49366 1/20 0.49
▸ RORB Q92753 5/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RORC P51449 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ PTK2B Q14289 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ CDK2 P24941 2/20 0.40

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
SCHEMBL13390544 0.89 DHPS (0.50) ADORA2AADORA1DHPSRORBNPC1
SCHEMBL3301060 0.86 ADORA2A (0.47) ADORA2AADORA1DHPSRORBRORC
SCHEMBL3303429 0.86 ADORA2A (0.64) ADORA2AADORA1
SCHEMBL3306940 0.77 ADORA2A (0.75) ADORA2AADORA1DHPS
SCHEMBL13391910 0.76 DHPS (0.43) ADORA2AADORA1DHPSNPC1RAB9A
SCHEMBL3304836 0.73 ADORA2A (0.58) ADORA2AADORA1
SCHEMBL13390903 0.69 ADORA2A (0.46) ADORA2AADORA1RORBLMNARORC
SCHEMBL14415716 0.69 RAB9A (0.70) NPC1LMNAPKMRAB9ASMN1; SMN2
SCHEMBL28568909 0.68 DHPS (0.79) DHPS
SCHEMBL3307785 0.68 ADORA2A (1.00) ADORA2AADORA1

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-2010045013-A1 PHENYL SUBSTITUTED THIENO [2,3-D] PYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 — — WO disclosed
WO-2010045013-A1 PHENYL SUBSTITUTED THIENO [2,3-D] PYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 — — WO disclosed
US-20100093763-A1 PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 — — US disclosed
US-20100093763-A1 PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 — — US disclosed
US-20100093763-A1 PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES 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-20100093763-A1 PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA1 4/4885DHPS 681/4885

“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.