SCHEMBL2923250

SCHEMBL2923250

CCCNc1nc(N2CCN(c3cccc(C(=O)O)c3)CC2)nc2c1SCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TTR P02766 1/20 0.40
▸ KMO O15229 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ MLYCD O95822 1/20 0.36
▸ PLOD2 O00469 1/20 0.36
▸ PLOD3 O60568 1/20 0.36
▸ PLOD1 Q02809 1/20 0.36
▸ PDE11A Q9HCR9 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ENPP2 Q13822 5/20 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
SCHEMBL2916952 0.86 PDE11A (0.42) KMT2AMEN1ALDH1A1HSD17B10GAA
SCHEMBL3027474 0.76 CHRNA10 (0.37) KMT2AMEN1ALDH1A1KDM4EPDE11A
SCHEMBL13212450 0.69 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL2919900 0.67 LMNA (0.42) KMT2AMEN1ALDH1A1HSD17B10GAA
SCHEMBL2920700 0.67 HTR2C (0.55) MAPTNPC1
SCHEMBL2918582 0.67 MAPT (0.49) KMT2AMEN1ALDH1A1HSD17B10GAA
SCHEMBL13211470 0.66 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1HSD17B10GAA
SCHEMBL6501140 0.66 KDM4E (0.67) KMT2AMEN1ALDH1A1HSD17B10GAA
SCHEMBL32688379 0.65 ALDH1A1 (0.80) KMT2AMEN1ALDH1A1HSD17B10GAA
SCHEMBL29631156 0.64 ALDH1A1 (0.73) KMT2AMEN1ALDH1A1HSD17B10GAA

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 KMT2A 4426/4885MEN1 2282/4885ALDH1A1 47/4885
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, MALT1, IL1B KMT2A 4617/4885MEN1 2098/4885ALDH1A1 100/4885
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer DPYD, DHODH, DPM1 KMT2A 4444/4885MEN1 2070/4885ALDH1A1 58/4885

“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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