SCHEMBL1990546

SCHEMBL1990546

NC(=O)Cc1nc(N2CCN3CCC[C@@H]3C2)nc2cccc(F)c12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 2/20 0.37
HDAC4 P56524 1/20 0.37
GRM2 Q14416 1/20 0.36
MAP4K4 O95819 1/20 0.36

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
SCHEMBL1990548 1.00 KMT2A (0.41) KMT2AHRH4HRH3POLBNPC1
SCHEMBL1998184 0.91 HRH4 (0.42) KMT2AHRH4HRH3POLBNPC1
SCHEMBL1996846 0.88 HRH4 (0.42) KMT2AHRH4HRH3POLBNPC1
SCHEMBL1996847 0.88 HRH4 (0.42) KMT2AHRH4HRH3POLBNPC1
SCHEMBL1994170 0.86 KMT2A (0.42) KMT2AHRH4HRH3POLBNPC1
SCHEMBL1994168 0.86 KMT2A (0.42) KMT2AHRH4HRH3POLBNPC1
SCHEMBL1991861 0.84 HRH4 (0.46) KMT2AHRH4HRH3HDAC4MAP4K4
SCHEMBL1993565 0.79 HRH4 (0.46) KMT2AHRH4
SCHEMBL1994914 0.70 HRH4 (0.46) KMT2AHRH4
SCHEMBL1994195 0.68 HRH4 (0.57) KMT2AHRH4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
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 KMT2A 3648/4885HRH4 249/4885HRH3 620/4885

“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.