SCHEMBL9268585

SCHEMBL9268585

[O-][S+]1CCc2nc(N3CCN(c4cccc(F)c4)CC3)nc(NC3CCOCC3)c21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 10/20 0.38
▸ CSNK1E P49674 5/20 0.38
▸ EHMT2 Q96KQ7 3/20 0.37
▸ DNMT3A Q9Y6K1 4/20 0.35
▸ INSR P06213 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ EHMT1 Q9H9B1 1/20 0.34

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
SCHEMBL8055904 0.90 MLYCD (0.35) CSNK1DEHMT2KDM4EEHMT1
SCHEMBL8065929 0.86 CSNK1D (0.34) CSNK1DCSNK1EEHMT2ALKKDM4E
SCHEMBL8023727 0.86 MAPK1 (0.36) EHMT2ALKEHMT1
SCHEMBL15317967 0.85 MAPK14 (0.32) CSNK1DEHMT2
SCHEMBL12892440 0.85 PIK3CD (0.42) CSNK1D
SCHEMBL12879883 0.85 PIK3CD (0.42) CSNK1D
SCHEMBL194991 0.85 PDE4D (0.35) EHMT2DNMT3AALKEHMT1
SCHEMBL12872258 0.85 SMN1; SMN2 (0.36) EHMT2DNMT3AALKMEN1ALDH1A1
SCHEMBL187845 0.84 OPRL1 (0.42) EHMT2EHMT1
SCHEMBL10265576 0.84 EML4 (0.36) EHMT2DNMT3AALKEHMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2214673-B1 PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-05-30 — — EP disclosed
US-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — US disclosed
US-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 — — 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-20110028441-A1 NOVEL PHENYL-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, DPM1, DDX41 CSNK1D 3651/4885CSNK1E 4156/4885EHMT2 4508/4885

“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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