SCHEMBL2913057

SCHEMBL2913057

NCCCc1nc(N2CCNCC2)nc2c1SCC2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTR2C P28335 2/20 0.35
▸ CETP P11597 3/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP4 P49662 1/20 0.33
▸ CASP5 P51878 1/20 0.33
▸ HTR2A P28223 2/20 0.31

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
SCHEMBL2916955 0.82 MAPT (0.45) USP2SMN1; SMN2
SCHEMBL3948728 0.80 CETP (0.42) SMN1; SMN2HTR2CCETPHTR2A
SCHEMBL2920930 0.80 MAPT (0.37) USP2SMN1; SMN2TDP1
SCHEMBL589346 0.73 HRH1 (0.35) HRH1USP2SMN1; SMN2TDP1HTR2C
SCHEMBL3021798 0.72 HTR2A (0.37) HRH1USP2SMN1; SMN2TDP1HTR2C
SCHEMBL2919544 0.70 MAPT (0.42) USP2SMN1; SMN2
SCHEMBL9383054 0.69 HTR2C (0.45) HRH1USP2SMN1; SMN2TDP1HTR2C
SCHEMBL2913055 0.69 KHK (0.43) HRH1USP2SMN1; SMN2TDP1HTR2C
SCHEMBL2923828 0.68 CETP (0.42) SMN1; SMN2HTR2CCETPHTR2A
SCHEMBL10571282 0.67 HTR2C (0.48) HRH1USP2SMN1; SMN2TDP1HTR2C

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 HRH1 10/4885USP2 4173/4885SMN1; SMN2 1070/4885
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, MALT1, IL1B HRH1 12/4885USP2 4017/4885SMN1; SMN2 1382/4885
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer DPYD, DHODH, DPM1 HRH1 29/4885USP2 4503/4885SMN1; SMN2 2033/4885

“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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