SCHEMBL2922786

SCHEMBL2922786

CCCNc1nc(N2CCN(c3ccc(Br)cc3)CC2)nc2c1SCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TSHR P16473 4/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.34
▸ USP2 O75604 3/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ PDE11A Q9HCR9 2/20 0.34
▸ CETP P11597 1/20 0.34
▸ PDE7A Q13946 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ GAA P10253 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
SCHEMBL2911656 0.89 MEN1 (0.34) POLBMEN1KMT2ALMNATSHR
SCHEMBL3948726 0.89 CETP (0.45) MEN1KMT2ALMNATSHRCETP
SCHEMBL2920928 0.89 ESR1 (0.36) MEN1KMT2ALMNANPSR1USP2
SCHEMBL2916952 0.89 PDE11A (0.42) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3027474 0.87 CHRNA10 (0.37) MEN1KMT2ALMNATSHRPDE11A
SCHEMBL3022088 0.85 MAPT (0.41) HTTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL2921386 0.80 MAPT (0.47) SMN1; SMN2MEN1KMT2ATSHRUSP2
SCHEMBL2913055 0.80 KHK (0.43) SMN1; SMN2MEN1KMT2ALMNAUSP2
SCHEMBL2923250 0.79 KMT2A (0.41) HTTMEN1KMT2AUSP2MAPT
SCHEMBL13212462 0.76 PDE11A (0.37) MEN1KMT2ATSHRUSP2MAPK1

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 HTT 1796/4885POLB 861/4885SMN1; SMN2 1070/4885
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, MALT1, IL1B HTT 1387/4885POLB 765/4885SMN1; SMN2 1382/4885
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer DPYD, DHODH, DPM1 HTT 1470/4885POLB 913/4885SMN1; 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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