SCHEMBL13177100

SCHEMBL13177100

CCCNc1nc(N2CCN(c3ccccc3)C(=O)C2)nc2c1SCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE11A Q9HCR9 4/20 0.41
▸ PDE2A O00408 2/20 0.40
▸ PDE1B Q01064 1/20 0.40
▸ PDE4A P27815 1/20 0.38
▸ PDE6C P51160 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ ALDH1A1 P00352 8/20 0.37
▸ MAPT P10636 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ BMPR2 Q13873 1/20 0.34
▸ TSHR P16473 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ PDE7A Q13946 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2916952 0.86 PDE11A (0.42) PDE11APDE2APDE1BPDE4APDE6C
SCHEMBL13212462 0.79 PDE11A (0.37) PDE11APDE2APDE1BPDE4APDE6C
SCHEMBL2923250 0.78 KMT2A (0.41) PDE11APDE2APDE1BALDH1A1MAPT
SCHEMBL2911656 0.76 MEN1 (0.34) PDE11APDE2APDE1BALDH1A1MAPT
SCHEMBL2922786 0.76 HTT (0.36) PDE11AALDH1A1MAPTKMT2AMEN1
SCHEMBL2920928 0.76 ESR1 (0.36) PDE11AALDH1A1MAPTKMT2AMEN1
SCHEMBL3022088 0.74 MAPT (0.41) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL3027474 0.74 CHRNA10 (0.37) PDE11AALDH1A1KMT2AMEN1TSHR
SCHEMBL2913055 0.73 KHK (0.43) ALDH1A1KMT2AMEN1USP2KDM4E
SCHEMBL27705246 0.72 PDE11A (0.38) PDE11APDE2APDE1BPDE4APDE6C

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 11 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
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-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-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
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

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-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer DPYD, DHODH, FH PDE11A 3169/4885PDE2A 3447/4885PDE1B 3608/4885
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, MALT1, IL1B PDE11A 3288/4885PDE2A 3452/4885PDE1B 3891/4885

“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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