SCHEMBL3889223

SCHEMBL3889223

O=C(Nc1nc(OC2CCCC2)nc2[nH]cnc12)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.42
▸ CCNB2 O95067 1/20 0.40
▸ CCNE2 O96020 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40
▸ PDPK1 O15530 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ NT5C2 P49902 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL3877942 0.80 SMN1; SMN2 (0.38) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL8121389 0.76 BRD4 (0.51) BRD4PDPK1NT5C2ADORA3NT5E
SCHEMBL27703108 0.75 PARP1 (0.41) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL2514195 0.72 BRD4 (0.47) BRD4PDPK1NT5C2HDAC6ADORA3
SCHEMBL159109 0.71 ADORA2A (0.40) CCNB2CDK1CCNB1CDK2CCNB3
SCHEMBL23123 0.71 BRD4 (0.64) BRD4PDPK1NPC1RAB9ANT5C2
SCHEMBL6463473 0.70 BRD4 (0.60) BRD4PDPK1NPC1RAB9ANT5C2
SCHEMBL8381773 0.70 BRD4 (0.63) BRD4PDPK1NPC1RAB9ANT5C2
SCHEMBL7717445 0.69 BRD4 (0.51) BRD4CDK2PDPK1NPC1RAB9A
SCHEMBL11023230 0.67 BRD4 (0.52) BRD4PDPK1NPC1RAB9ANT5C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-05-07 — — US disclosed
CN-101410407-A Substituted adenines and the uses thereof ASTRAZENECA AB (SE) 2009-04-15 — — CN disclosed
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 — — US disclosed
EP-2010553-A1 SUBSTITUTED ADENINES AND THE USES THEREOF AstraZeneca AB (SE) 2009-01-07 — — EP disclosed
CN-101072787-A Substituted adenines and the use thereof ASTRAZENECA AB (SE) 2007-11-14 — — CN disclosed
WO-2007113538-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2007-10-11 — — WO 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 BRD4 2828/4885CCNB2 2316/4885CCNE2 3471/4885
US-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 BRD4 2829/4885CCNB2 2264/4885CCNE2 3269/4885

“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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