SCHEMBL4071388

SCHEMBL4071388

CN1C[C@H](Nc2nc(Cl)nc3c2SCC3)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.36
▸ IL1B P01584 1/20 0.36
▸ SMN1; SMN2 Q16637 5/20 0.33
▸ MAPT P10636 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SRD5A1 P18405 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KAT2B Q92831 5/20 0.31

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
SCHEMBL516223 1.00 TDP1 (0.36) TDP1IL1BSMN1; SMN2MAPTL3MBTL1
SCHEMBL195122 1.00 TDP1 (0.36) TDP1IL1BSMN1; SMN2MAPTL3MBTL1
SCHEMBL10249353 0.87 IL1B (0.38) TDP1IL1BSMN1; SMN2MAPTL3MBTL1
SCHEMBL10266156 0.87 IL1B (0.38) TDP1IL1BSMN1; SMN2MAPTL3MBTL1
SCHEMBL12209188 0.79 KMT2A (0.35) TDP1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL15062707 0.78 IL1B (0.35) IL1BPIM1PIM2SRD5A1KAT2B
SCHEMBL20838962 0.77 JAK3 (0.40) PIM1PIM2MEN1KMT2A
SCHEMBL20851937 0.77 JAK3 (0.40) PIM1PIM2MEN1KMT2A
SCHEMBL20838977 0.77 JAK3 (0.40) PIM1PIM2MEN1KMT2A
SCHEMBL558118 0.76 IL1B (0.35) IL1BPIM1PIM2SRD5A1KAT2B

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 6 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-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

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 TDP1 87/4885IL1B 625/4885SMN1; SMN2 1736/4885
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT TDP1 863/4885IL1B 98/4885SMN1; SMN2 833/4885

“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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