SCHEMBL8250796

SCHEMBL8250796

Cn1cccc1CNC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.44
HSD11B1 P28845 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2977828 0.93 HSD11B1 (0.46) KDM4ETSHRRAB9ANPC1KMT2A
SCHEMBL4654381 0.87 HSD11B1 (0.42) KDM4ETSHRRAB9AKMT2AHSD11B1
SCHEMBL13212481 0.78 HSD11B1 (0.40) KDM4ETSHRRAB9ANPC1KMT2A
SCHEMBL13899637 0.78 HSD11B1 (0.40) KDM4ETSHRRAB9ANPC1KMT2A
SCHEMBL2979417 0.76 KMT2A (0.56) RAB9ANPC1KMT2AHSD11B1ALDH1A1
SCHEMBL6345896 0.71
SCHEMBL31324516 0.71 HSD11B1 (0.33) KDM4ETSHRRAB9AHTTKMT2A
SCHEMBL14454192 0.71 MEN1 (0.65) TSHRRAB9ANPC1KMT2ALMNA
SCHEMBL19303769 0.70 IRAK4 (0.51) KDM4ETSHRGLAHTTNPSR1
SCHEMBL12311473 0.70 VEGFA (0.44) KDM4ETSHRRAB9ANPC1KMT2A

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 11 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-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-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-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
WO-2006111549-A1 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-26 WO 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 (2 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 KDM4E 4703/4885TSHR 4123/4885RAB9A 2258/4885
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, MALT1, IL1B KDM4E 4702/4885TSHR 4309/4885RAB9A 2831/4885

“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.