SCHEMBL4063860

SCHEMBL4063860

Nc1ccc(N2CCN(c3nc4c(c(Nc5cccc(Cl)c5)n3)[S+]([O-])CC4)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ BRD4 O60885 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ NTRK2 Q16620 1/20 0.39
▸ CAMK2A Q9UQM7 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ GBA1 P04062 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HTR2C P28335 3/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ GSK3A P49840 1/20 0.35

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
SCHEMBL2912346 0.92 ABL1 (0.41) LMNAMAPTALDH1A1ALOX12SMN1; SMN2
Trifluoroacetic Acid SCHEMBL589894 0.92 C1S (0.42) LMNAMAPTALDH1A1ALOX12SMN1; SMN2
SCHEMBL4075744 0.89 LMNA (0.38) LMNAMAPTALDH1A1ALOX12SMN1; SMN2
SCHEMBL590220 0.88 EGFR (0.41) MAPTALDH1A1SMN1; SMN2BRD4SRC
SCHEMBL588907 0.88 MEN1 (0.42) LMNAGSK3AGSK3BMEN1KMT2A
SCHEMBL589895 0.84 NPC1 (0.41) LMNAMAPTALDH1A1SMN1; SMN2BRD4
SCHEMBL590116 0.83 MAPT (0.43) LMNAMAPTALDH1A1BRD4MEN1
SCHEMBL8516432 0.82 HTR2C (0.38) MAPTALDH1A1NTRK2L3MBTL1HTR2C
SCHEMBL588862 0.80 KDM4E (0.41) LMNAMAPTALDH1A1SMN1; SMN2PIK3CA
SCHEMBL12872277 0.80 NTRK1 (0.38) MAPTNTRK2HTR2CHTR2ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 — — US disclosed
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 — — US disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 — — US disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 — — US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 — — US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 — — US disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 — — US disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 — — WO disclosed
EP-1847543-A1 Dihydrothienopyrimidines for the treatment of inflammatory diseases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-10-24 — — EP 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 (2 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-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system PDE4A, PDE4B, PDE12 LMNA 4706/4885MAPT 4255/4885ALDH1A1 396/4885
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT LMNA 4713/4885MAPT 2212/4885ALDH1A1 302/4885

“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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