SCHEMBL2913055

SCHEMBL2913055

CCCNc1nc(N2CCNCC2)nc2c1SCC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 4/20 0.43
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTR2C P28335 2/20 0.37
▸ HTR2A P28223 3/20 0.37
▸ HRH1 P35367 1/20 0.36
▸ CETP P11597 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CCNE1 P24864 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ KMT5A Q9NQR1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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 0.81 PDE11A (0.42) KHKMEN1LMNAKMT2AHRH1
SCHEMBL11100907 0.81 HTR2C (0.38) KHKHTR2CHTR2AHRH1USP2
SCHEMBL2920928 0.80 ESR1 (0.36) MEN1LMNAKMT2ACETPUSP2
SCHEMBL2922786 0.80 HTT (0.36) KHKMEN1LMNAKMT2ACETP
SCHEMBL3948726 0.80 CETP (0.45) MEN1LMNAKMT2ACETPKDM4E
SCHEMBL2911656 0.80 MEN1 (0.34) KHKMEN1LMNAKMT2ACETP
SCHEMBL3027474 0.80 CHRNA10 (0.37) KHKMEN1LMNAKMT2ACETP
SCHEMBL11102793 0.76 HTR2A (0.47) KHKHTR2CHTR2AHRH1USP2
SCHEMBL3022088 0.76 MAPT (0.41) MEN1LMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2921761 0.75 CTSL (0.47) KHKHTR2CHRH1USP2SMN1; 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 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 KHK 1326/4885MEN1 2282/4885LMNA 4499/4885
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, MALT1, IL1B KHK 2101/4885MEN1 2098/4885LMNA 4117/4885
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer DPYD, DHODH, DPM1 KHK 1452/4885MEN1 2070/4885LMNA 4589/4885

“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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