SCHEMBL17513670

SCHEMBL17513670

COc1ccc(C(=O)NCC2CC2)nc1Br

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.47
MAPK14 Q16539 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CNR1 P21554 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR2 P34972 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HIF1A Q16665 1/20 0.41
RORC P51449 1/20 0.41
DRD2 P14416 4/20 0.41
DRD4 P21917 3/20 0.41
KLKB1 P03952 1/20 0.41
HPGD P15428 1/20 0.41
DRD3 P35462 2/20 0.41

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
SCHEMBL12468738 0.84 NPC1 (0.48) CTSAMAPK14TDP1CNR1MEN1
SCHEMBL17513656 0.83 MAPK14 (0.45) MAPK14TDP1CNR1MEN1KMT2A
SCHEMBL10112914 0.79 CTSA (0.53) CTSAMEN1KMT2A
SCHEMBL17513131 0.78 POLB (0.46) MAPK14CNR1POLBMEN1KMT2A
SCHEMBL17529439 0.76 CNR1 (0.44) MAPK14CNR1POLBMEN1KMT2A
SCHEMBL30232755 0.75 CNR1 (0.45) MAPK14CNR1POLBMEN1KMT2A
SCHEMBL17513666 0.75 CNR1 (0.44) CNR1MEN1KMT2ACNR2NPC1
SCHEMBL17513113 0.75 CNR2 (0.47) MAPK14CNR1POLBCNR2NPC1
SCHEMBL7107317 0.74 CTSA (0.47) CTSANPC1RAB9A
SCHEMBL10131089 0.73 SSTR4 (0.46) CTSAKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3182962-B1 COMPOSITIONS AND USES OF AMIDINE DERIVATIVES BIOCRYST PHARM INC (US) 2023-06-07 EP disclosed
EP-3182962-B1 COMPOSITIONS AND USES OF AMIDINE DERIVATIVES BIOCRYST PHARM INC (US) 2023-06-07 EP disclosed
US-10905683-B2 Compositions and uses of amidine derivatives BIOCRYST PHARMACEUTICALS, INC. (US) 2021-02-02 US disclosed
US-10905683-B2 Compositions and uses of amidine derivatives BIOCRYST PHARMACEUTICALS, INC. (US) 2021-02-02 US disclosed
US-20170266172-A1 Compositions and Uses of Amidine Derivatives WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 US disclosed
US-20170266172-A1 Compositions and Uses of Amidine Derivatives WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 US disclosed
US-20170266172-A1 Compositions and Uses of Amidine Derivatives WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 US disclosed
EP-3182962-A1 COMPOSITIONS AND USES OF AMIDINE DERIVATIVES Biocryst Pharmaceuticals, Inc. (US) 2017-06-28 EP disclosed
WO-2016029214-A9 COMPOSITIONS AND USES OF AMIDINE DERIVATIVES BIOCRYST PHARMACEUTICALS, INC. (US) 2017-01-05 WO disclosed
WO-2016029214-A9 COMPOSITIONS AND USES OF AMIDINE DERIVATIVES BIOCRYST PHARMACEUTICALS, INC. (US) 2017-01-05 WO disclosed
WO-2016029216-A2 METHOD FOR PRODUCING AMIDINE DERIVATIVES BIOCRYST PHARMACEUTICALS, INC. (US) 2016-02-25 WO disclosed
WO-2016029214-A1 COMPOSITIONS AND USES OF AMIDINE DERIVATIVES BIOCRYST PHARMACEUTICALS, INC. (US) 2016-02-25 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 (2 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-10905683-B2 Compositions and uses of amidine derivatives HRH3, HRH2, HRH1 CTSA 1680/4885MAPK14 2569/4885TDP1 2346/4885
US-20170266172-A1 Compositions and Uses of Amidine Derivatives HRH3, HRH2, HRH1 CTSA 1680/4885MAPK14 2569/4885TDP1 2346/4885

“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.