SCHEMBL3022088

SCHEMBL3022088

CCCNc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2c1SCC2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.41
▸ ALDH1A1 P00352 8/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ CAMK2D Q13557 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTT P42858 1/20 0.38

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
SCHEMBL2920928 0.85 ESR1 (0.36) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL2922786 0.85 HTT (0.36) MAPTALDH1A1SMN1; SMN2HRH4LMNA
SCHEMBL2916952 0.85 PDE11A (0.42) MAPTALDH1A1SMN1; SMN2HRH4LMNA
SCHEMBL3027474 0.82 CHRNA10 (0.37) ALDH1A1HRH4LMNAMEN1KMT2A
SCHEMBL2923250 0.77 KMT2A (0.41) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL2913055 0.76 KHK (0.43) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL13212462 0.72 PDE11A (0.37) MAPTALDH1A1HRH4MEN1KMT2A
SCHEMBL13212450 0.69 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2HRH4LMNA
SCHEMBL27412409 0.68 SIRT6 (0.59) MAPTALDH1A1SMN1; SMN2SIRT6LMNA
SCHEMBL2918449 0.67 HTR2C (0.47) MAPTALDH1A1SMN1; SMN2HRH4LMNA

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-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
EP-2060575-A1 Dihydrothienopyrimidines and their use in treating inflammatory diseases Boehringer Ingelheim International GmbH (DE) 2009-05-20 — — 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 MAPT 1441/4885ALDH1A1 47/4885SMN1; SMN2 1070/4885
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, MALT1, IL1B MAPT 1505/4885ALDH1A1 100/4885SMN1; SMN2 1382/4885
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer DPYD, DHODH, DPM1 MAPT 1629/4885ALDH1A1 58/4885SMN1; SMN2 2033/4885

“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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