SCHEMBL1991149

SCHEMBL1991149

CCOC(=O)Cc1nc(N2CCN(C)CC2)nc2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
HTR6 P50406 1/20 0.41
HTR3A P46098 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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
SCHEMBL2001802 0.84 HRH4 (0.50) HRH4HTR6HTR3AKDM4EALDH1A1
SCHEMBL2031142 0.82 HRH4 (0.54) HRH4MEN1KMT2AHTR3AALDH1A1
SCHEMBL1990169 0.79 HRH4 (0.47) HRH4MEN1KMT2AHTR6
SCHEMBL1996973 0.79 HRH4 (0.48) HRH4MEN1KMT2AALDH1A1
SCHEMBL1993141 0.77 HRH4 (0.56) HRH4MEN1KMT2AKDM4EALDH1A1
SCHEMBL1996197 0.77 HRH4 (0.45) HRH4MEN1KMT2AKDM4E
SCHEMBL1989725 0.77 ALDH1A1 (0.46) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL1991700 0.76 HRH4 (0.71) HRH4MEN1KMT2AHTR3AKDM4E
SCHEMBL1991125 0.76 HRH4 (0.55) HRH4MEN1KMT2AKDM4EALDH1A1
SCHEMBL1994327 0.75 HRH4 (0.54) HRH4MEN1KMT2AKDM4EALDH1A1

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 249/4885MEN1 427/4885KMT2A 3648/4885

“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.