SCHEMBL1188274

SCHEMBL1188274

[O-][S+]1CCc2nc(N3CCN(c4ccccc4Cl)CC3)nc(NC3CCOCC3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.37
▸ PDE4D Q08499 2/20 0.36
▸ PDE10A Q9Y233 2/20 0.34
▸ RET P07949 2/20 0.34
▸ ALK Q9UM73 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ PAK4 O96013 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ LTK P29376 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ CSNK1A1 P48729 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ MAP2K1 Q02750 1/20 0.34
▸ MST1R Q04912 1/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ TNK2 Q07912 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
SCHEMBL12887076 0.90 AKR1C3 (0.38) AKR1C3PDE4DPDE10ARETALK
SCHEMBL589081 0.87 MAPT (0.38) AKR1C3PDE4DRETALKDNMT3A
SCHEMBL8025311 0.86 RET (0.39) AKR1C3PDE4DRETALKJAK2
SCHEMBL12209969 0.86 SCD (0.42) PDE4DEHMT2GPR6
SCHEMBL8038226 0.85 AKR1C3 (0.42) AKR1C3PDE4DRETALKJAK2
SCHEMBL12872258 0.85 SMN1; SMN2 (0.36) PDE4DRETALKEHMT2GPR6
SCHEMBL12921249 0.84 PDE4D (0.41) PDE4DPDE10AEHMT2DNMT3ACCR4
SCHEMBL516035 0.84 ALDH1A1 (0.40) PDE4DDNMT3APIK3CA
SCHEMBL194991 0.83 PDE4D (0.35) PDE4DRETALKEHMT2DNMT3A
SCHEMBL8023727 0.83 MAPK1 (0.36) PDE4DRETALKEHMT2GPR6

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 AKR1C3 946/4885PDE4D 3200/4885PDE10A 3167/4885

“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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