SCHEMBL1996846

SCHEMBL1996846

COC(=O)Cc1nc(N2CCN3CCCC3C2)nc2cccc(F)c12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.42
KMT2A Q03164 1/20 0.41
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
HDAC4 P56524 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 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
SCHEMBL1996847 1.00 HRH4 (0.42) HRH4KMT2APOLBNPC1HRH3
SCHEMBL1994170 0.90 KMT2A (0.42) HRH4KMT2APOLBNPC1HRH3
SCHEMBL1994168 0.90 KMT2A (0.42) HRH4KMT2APOLBNPC1HRH3
SCHEMBL1998184 0.89 HRH4 (0.42) HRH4KMT2APOLBNPC1HRH3
SCHEMBL1990548 0.88 KMT2A (0.41) HRH4KMT2APOLBNPC1HRH3
SCHEMBL1990546 0.88 KMT2A (0.41) HRH4KMT2APOLBNPC1HRH3
SCHEMBL1996128 0.81 HRH4 (0.46) HRH4KDM4E
SCHEMBL1991861 0.72 HRH4 (0.46) HRH4KMT2AHRH3HDAC4ADRA2A
SCHEMBL1995750 0.71 TRPV4 (0.41) HRH4DRD2KDM4E
SCHEMBL1994914 0.70 HRH4 (0.46) HRH4KMT2AKDM4E

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 2 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
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 249/4885KMT2A 3648/4885POLB 3713/4885

“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.