SCHEMBL3027030

SCHEMBL3027030

CCC(N)c1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1SCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ GAA P10253 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ PDE11A Q9HCR9 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE6C P51160 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 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
SCHEMBL4152368 0.89 CETP (0.40) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL3026830 0.89 PDE11A (0.43) MAPTALDH1A1GAALMNAHTT
SCHEMBL4607882 0.79 MAPT (0.39) MAPTALDH1A1KDM4EPKMGAA
SCHEMBL2914424 0.79 MAPT (0.41) MAPTALDH1A1KDM4EPKMGAA
SCHEMBL3009469 0.77 MAPT (0.39) MAPTALDH1A1KDM4EPKMGAA
SCHEMBL2920928 0.77 ESR1 (0.36) MAPTALDH1A1KDM4EPKMGAA
SCHEMBL2920930 0.76 MAPT (0.37) MAPTALDH1A1KDM4EPKMGAA
SCHEMBL2922400 0.74 MAPT (0.35) MAPTALDH1A1KDM4EPKMGAA
SCHEMBL13177138 0.70 CHKA (0.38) MAPTALDH1A1GAAHTTSMN1; SMN2
SCHEMBL588576 0.70 KMT2A (0.43) MAPTALDH1A1GAALMNASMN1; SMN2

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 MAPT 1441/4885ALDH1A1 47/4885KDM4E 4703/4885
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, MALT1, IL1B MAPT 1505/4885ALDH1A1 100/4885KDM4E 4702/4885
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer DPYD, DHODH, DPM1 MAPT 1629/4885ALDH1A1 58/4885KDM4E 4627/4885

“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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