SCHEMBL1996197

SCHEMBL1996197

CCOC(=O)Cc1nc(N2CCN(C)CC2)nc2c(C)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.45
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PRKCA P17252 1/20 0.43
PRKCH P24723 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCD Q05655 1/20 0.43
SLC6A4 P31645 3/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
RECQL P46063 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 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
SCHEMBL1994137 0.85 HRH4 (0.50) HRH4KDM4EPRKCAPRKCHPRKCE
SCHEMBL2031142 0.83 HRH4 (0.54) HRH4PRKCAPRKCHPRKCEPRKCQ
SCHEMBL1993141 0.78 HRH4 (0.56) HRH4KDM4EMEN1KMT2A
SCHEMBL1991149 0.77 HRH4 (0.46) HRH4KDM4EMEN1KMT2A
SCHEMBL1996973 0.77 HRH4 (0.48) HRH4SMN1; SMN2RXFP1MEN1KMT2A
SCHEMBL1991700 0.77 HRH4 (0.71) HRH4KDM4EMEN1KMT2A
SCHEMBL1991125 0.77 HRH4 (0.55) HRH4KDM4ETDP1PRKCAPRKCH
SCHEMBL1991573 0.77 KDM4E (0.51) KDM4ETDP1SMN1; SMN2MEN1KMT2A
SCHEMBL1994327 0.76 HRH4 (0.54) HRH4KDM4ESMN1; SMN2SLC6A4MEN1
SCHEMBL1990169 0.76 HRH4 (0.47) HRH4SLC6A4MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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 (1 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO HRH4 249/4885KDM4E 3351/4885TDP1 2210/4885

“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.