SCHEMBL12872258

SCHEMBL12872258

[O-][S+]1CCc2nc(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)nc(NC3CCOCC3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ MAPT P10636 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PHGDH O43175 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PDE4D Q08499 1/20 0.33
▸ GPR6 P46095 1/20 0.33
▸ DNMT3A Q9Y6K1 5/20 0.33
▸ EML4 Q9HC35 2/20 0.33
▸ ALK Q9UM73 2/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.33
▸ EHMT1 Q9H9B1 1/20 0.33
▸ CDK2 P24941 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RET P07949 1/20 0.32

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
SCHEMBL8023727 0.92 MAPK1 (0.36) PDE4DGPR6EML4ALKEHMT2
SCHEMBL589081 0.91 MAPT (0.38) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL10265576 0.87 EML4 (0.36) SMN1; SMN2MAPTLMNAPDE4DDNMT3A
SCHEMBL194991 0.86 PDE4D (0.35) PDE4DDNMT3AEML4ALKEHMT2
SCHEMBL8057035 0.85 PDE4D (0.35) PDE4DDNMT3AEHMT2EHMT1
SCHEMBL1188274 0.85 AKR1C3 (0.37) PDE4DGPR6DNMT3AEML4ALK
SCHEMBL9268585 0.85 CSNK1D (0.38) MEN1KMT2AALDH1A1L3MBTL1DNMT3A
SCHEMBL8025311 0.83 RET (0.39) PHGDHPDE4DGPR6EML4ALK
SCHEMBL12872264 0.83 HIF1A (0.36) SMN1; SMN2MAPTMEN1HTTKMT2A
SCHEMBL8046538 0.82 MAPK1 (0.32) GPR6DNMT3AEHMT2EHMT1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SMN1; SMN2 375/4885MAPT 2314/4885MEN1 2625/4885

“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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