SCHEMBL1995226

SCHEMBL1995226

CN1CCN(c2nc(CC(N)=O)c3ccncc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.45
HRH4 Q9H3N8 6/20 0.42
HTR3A P46098 4/20 0.42
HTR6 P50406 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
GLA P06280 1/20 0.39
CHEK1 O14757 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PTK2 Q05397 1/20 0.37
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
PDE5A O76074 1/20 0.37

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
SCHEMBL1996973 0.84 HRH4 (0.48) LATS1HRH4KDM4CALDH1A1
SCHEMBL1993681 0.84 HRH4 (0.61) HRH4HTR3AKDM4EHTTGLA
SCHEMBL1993947 0.81 PRKCB (0.45) HRH4HTR3AHTR6KDM4EHTT
SCHEMBL1993409 0.79 HRH4 (0.50) HRH4HTR3AKDM4EHTTGLA
SCHEMBL1991112 0.78 HRH4 (0.65) HRH4HTR3AKDM4EALDH1A1
SCHEMBL1990158 0.78 HRH4 (0.49) HRH4HTR3AHTR6KDM4EHTT
SCHEMBL1995864 0.77 PIK3R1 (0.43) HRH4HTR3AHTR6KDM4EHTT
SCHEMBL2001802 0.77 HRH4 (0.50) HRH4HTR3AHTR6KDM4EHTT
SCHEMBL1998966 0.76 EHMT1 (0.51) HRH4HTR3AHTR6KDM4EHTT
SCHEMBL1992580 0.76 GGPS1 (0.42) HRH4HTR3AHTR6KDM4EHTT

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 LATS1 1816/4885HRH4 249/4885HTR3A 1075/4885

“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.