SCHEMBL15317967

SCHEMBL15317967

CC1CN(c2cccc(F)c2)[C@H](C)CN1c1nc2c(c(NC3CCOCC3)n1)[S+]([O-])CC2

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.32
▸ ADORA2A P29274 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ ADORA3 P0DMS8 3/20 0.32
▸ PDE4D Q08499 3/20 0.31
▸ C1S P09871 2/20 0.31
▸ ADORA1 P30542 2/20 0.31
▸ EHMT2 Q96KQ7 1/20 0.31
▸ CSNK1D P48730 1/20 0.30
▸ IRAK1 P51617 1/20 0.30

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
SCHEMBL15107329 0.90 PDE4D (0.35) MAPK14PDE4D
SCHEMBL12892440 0.88 PIK3CD (0.42) MAPK14ADORA2APIK3CDADORA3PDE4D
SCHEMBL12879883 0.88 PIK3CD (0.42) MAPK14ADORA2APIK3CDADORA3PDE4D
SCHEMBL9268585 0.85 CSNK1D (0.38) EHMT2CSNK1D
SCHEMBL8065929 0.84 CSNK1D (0.34) ADORA2APIK3CDADORA3PDE4DADORA1
SCHEMBL8055904 0.80 MLYCD (0.35) PDE4DEHMT2CSNK1D
SCHEMBL16503338 0.80 MAPK1 (0.32) MAPK1PDE4DEHMT2
SCHEMBL12879583 0.80 ALDH1A1 (0.33) ADORA2AMAPK1PIK3CDADORA3PDE4D
SCHEMBL15315383 0.80 ALDH1A1 (0.33) ADORA2AMAPK1PIK3CDADORA3PDE4D
SCHEMBL15317965 0.79 ADAMTS5 (0.31) C1S

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-9090626-B2 Piperazino-dihydrothienopyrimidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-28 — — US disclosed
US-20130274264-A1 PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-17 — — 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-20130274264-A1 PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES PDE4A, PDE12, PDE4B MAPK14 2787/4885ADORA2A 1909/4885MAPK1 2836/4885

“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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