SCHEMBL2911656

SCHEMBL2911656

CCCNc1nc(N2CCN(c3ccc(I)cc3)CC2)nc2c1SCC2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ LMNA P02545 2/20 0.34
▸ PDE11A Q9HCR9 3/20 0.34
▸ CETP P11597 1/20 0.34
▸ PDE7A Q13946 1/20 0.34
▸ HRH4 Q9H3N8 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MAPT P10636 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KHK P50053 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ PDE2A O00408 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ POLB P06746 1/20 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
SCHEMBL2922786 0.89 HTT (0.36) MEN1KMT2ALMNAPDE11ACETP
SCHEMBL3948726 0.89 CETP (0.45) MEN1KMT2ALMNACETPHRH4
SCHEMBL2920928 0.89 ESR1 (0.36) MEN1KMT2ALMNAPDE11ACETP
SCHEMBL2916952 0.89 PDE11A (0.42) MEN1KMT2ALMNAPDE11AHRH4
SCHEMBL3027474 0.87 CHRNA10 (0.37) MEN1KMT2ALMNAPDE11ACETP
SCHEMBL3022088 0.85 MAPT (0.41) MEN1KMT2ALMNAHRH4MAPT
SCHEMBL2921386 0.80 MAPT (0.47) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL2913055 0.80 KHK (0.43) MEN1KMT2ALMNACETPALDH1A1
SCHEMBL2923250 0.79 KMT2A (0.41) MEN1KMT2APDE11AMAPTALDH1A1
SCHEMBL13212462 0.76 PDE11A (0.37) MEN1KMT2APDE11AHRH4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354531-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 — — US disclosed
EP-1874781-B9 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2010-09-08 — — EP disclosed
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 — — US disclosed
US-7723341-B2 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-05-25 — — US disclosed
US-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 — — US disclosed
EP-1874781-B1 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2009-06-24 — — EP disclosed
US-7511045-B2 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 — — US disclosed
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 — — 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 (3 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-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer DPYD, DHODH, FH MEN1 2282/4885KMT2A 4426/4885LMNA 4499/4885
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, MALT1, IL1B MEN1 2098/4885KMT2A 4617/4885LMNA 4117/4885
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer DPYD, DHODH, DPM1 MEN1 2070/4885KMT2A 4444/4885LMNA 4589/4885

“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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