SCHEMBL932420

SCHEMBL932420

O=C(O)N1CCC[C@H]1c1nc(-c2cnc(-c3cnc4cc(Br)ccc4n3)nc2)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.39
HCRTR2 O43614 10/20 0.39
HSD11B1 P28845 1/20 0.35
HPGD P15428 5/20 0.33
ROCK2 O75116 1/20 0.33
SCD5 Q86SK9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL12661225 0.88 HPGDS (0.38) HCRTR1HCRTR2KDM4EALDH1A1POLB
SCHEMBL932973 0.84 PRCP (0.36) HCRTR1HCRTR2GRM5
SCHEMBL2363127 0.80 HCRTR1 (0.41) HCRTR1HCRTR2SCD5MAPT
SCHEMBL27855003 0.80 HCRTR1 (0.39) HCRTR1HCRTR2SCD5KMT2A
SCHEMBL3781488 0.80 HCRTR1 (0.39) HCRTR1HCRTR2SCD5KMT2A
SCHEMBL2454437 0.79 HCRTR1 (0.38) HCRTR1HCRTR2SCD5KMT2A
SCHEMBL933610 0.79 PRCP (0.45) HCRTR1HCRTR2
SCHEMBL933675 0.78 PRCP (0.44) HCRTR1HCRTR2
SCHEMBL3448741 0.77 TP53 (0.39) HCRTR1HCRTR2KMT2A
SCHEMBL16499066 0.77 GRM5 (0.36) HCRTR1HCRTR2GRM5

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
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 WO 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-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS HCRTR1 4187/4885HCRTR2 4696/4885HSD11B1 1239/4885

“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.