SCHEMBL3026830

SCHEMBL3026830

CCC(N)c1nc(N2CCN(c3ccccc3)CC2)nc2c1SCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE11A Q9HCR9 3/20 0.43
▸ PDE2A O00408 2/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE6C P51160 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ MAPT P10636 7/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ PDE1B Q01064 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 2/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ DHFR P00374 1/20 0.36

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
SCHEMBL4152368 0.89 CETP (0.40) PDE11APDE2APDE4APDE6CPDE10A
SCHEMBL3027030 0.89 MAPT (0.39) PDE11APDE2APDE4APDE6CPDE10A
SCHEMBL27725837 0.77 MAPT (0.44) PDE11APDE2APDE4APDE6CPDE10A
SCHEMBL27705246 0.77 PDE11A (0.38) PDE11APDE2APDE4APDE6CPDE10A
SCHEMBL2918582 0.76 MAPT (0.49) PDE11AMAPTALDH1A1KMT2AHSD17B10
SCHEMBL2916952 0.76 PDE11A (0.42) PDE11APDE2APDE4APDE6CPDE10A
SCHEMBL2916955 0.75 MAPT (0.45) PDE11APDE2AMAPTALDH1A1KMT2A
SCHEMBL2919544 0.73 MAPT (0.42) PDE11APDE2APDE4APDE6CPDE10A
SCHEMBL2918449 0.72 HTR2C (0.47) MAPTALDH1A1KMT2AHSD17B10MEN1
Trifluoroacetic Acid SCHEMBL588532 0.69 KMT2A (0.36) MAPTALDH1A1KMT2AHSD17B10MEN1

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-8354531-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 — — 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-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-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 PDE11A 3169/4885PDE2A 3447/4885PDE4A 2030/4885
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, MALT1, IL1B PDE11A 3288/4885PDE2A 3452/4885PDE4A 2232/4885
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer DPYD, DHODH, DPM1 PDE11A 2984/4885PDE2A 3594/4885PDE4A 2081/4885

“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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