SCHEMBL3776834

SCHEMBL3776834

CC(C)(C)OC(=O)N1CCC(Nc2ncc(C#N)c(N)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 2/20 0.49
▸ CDK2 P24941 5/20 0.49
▸ CDK1 P06493 4/20 0.49
▸ CDK4 P11802 4/20 0.49
▸ CCND1 P24385 4/20 0.49
▸ CCNA2 P20248 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ GPR119 Q8TDV5 7/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ EHMT2 Q96KQ7 1/20 0.44

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
SCHEMBL16671765 0.94 PIK3CD (0.49) NSD2CDK2CDK1CDK4CCND1
SCHEMBL22900807 0.88 NSD2 (0.49) NSD2ALDH1A1GPR119NPC1MAPT
SCHEMBL26918653 0.86 NSD2 (0.52) NSD2ALDH1A1GPR119NPC1MAPT
SCHEMBL27735445 0.84 IRAK4 (0.44) CDK2CDK1CDK4CCND1MAPT
SCHEMBL3774992 0.83 GPR119 (0.57) NSD2ALDH1A1GPR119NPC1MAPT
SCHEMBL22900902 0.82 JAK1 (0.53) NSD2CDK2CDK1CDK4CCND1
SCHEMBL23292325 0.81 CCNK (0.61) NSD2ALDH1A1EHMT2
SCHEMBL28545483 0.81 CCNK (0.61) NSD2ALDH1A1EHMT2
SCHEMBL28545479 0.81 CCNK (0.61) NSD2ALDH1A1EHMT2
SCHEMBL27221146 0.81 NSD2 (0.44) NSD2CDK2CDK1CDK4CCND1

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
US-7855194-B2 Pyrimidine, quinazoline, pteridine and triazine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-21 — — US disclosed
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 — — EP disclosed
EP-2001867-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-12-17 — — EP disclosed
WO-2007110340-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 — — WO disclosed
US-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-09-27 — — 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-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives SSTR5, SSTR3, SSTR1 NSD2 3116/4885CDK2 945/4885CDK1 956/4885

“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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