SCHEMBL622113

SCHEMBL622113

COc1cc2cccnc2cc1F

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 6/20 0.74
PDGFRA P16234 6/20 0.74
TLR8 Q9NR97 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
PDE10A Q9Y233 1/20 0.44
MET P08581 2/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
SYK P43405 1/20 0.43
TRPA1 O75762 1/20 0.41
CASP6 P55212 1/20 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
SCHEMBL30074619 1.00 PDGFRB (0.74) PDGFRBPDGFRATLR8ALDH1A1NPC1
SCHEMBL6033532 0.93 PDGFRB (0.74) PDGFRBPDGFRATLR8ALDH1A1NPC1
SCHEMBL4299023 0.85 PDGFRB (1.00) PDGFRBPDGFRATLR8ALDH1A1NPC1
Hydrochloric Acid SCHEMBL29357672 0.84 PDGFRB (0.96) PDGFRBPDGFRATLR8ALDH1A1NPC1
SCHEMBL244602 0.81 PDGFRB (0.77) PDGFRBPDGFRATLR8ALDH1A1NPC1
SCHEMBL20216792 0.79 PDGFRB (0.74) PDGFRBPDGFRATLR8ALDH1A1NPC1
SCHEMBL6608733 0.79 PDGFRB (0.74) PDGFRBPDGFRATLR8ALDH1A1NPC1
SCHEMBL16346602 0.79 PDGFRB (0.74) PDGFRBPDGFRATLR8ALDH1A1NPC1
SCHEMBL5833750 0.79 NPC1 (0.54) PDGFRBPDGFRAALDH1A1NPC1RAB9A
SCHEMBL1059698 0.77 PDGFRB (0.77) PDGFRBPDGFRATLR8ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111164083-B Novel ALK2 inhibitors and methods for inhibiting BMP signaling 布里格姆妇女医院股份有限公司 2023-01-10 CN disclosed
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
US-8507676-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-08-13 US disclosed
US-8497368-B2 Heterocyclic hydrazone compounds NOVARTIS AG (CH) 2013-07-30 US disclosed
US-8410264-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-04-02 US disclosed
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2012-11-29 US disclosed
US-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS NOVARTIS AG (CH) 2012-06-07 US disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 US disclosed
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-03-17 US disclosed
WO-2010015680-A1 FUNGICIDE OXYALKYLAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2010-02-11 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 (6 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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 PDGFRB 4750/4885PDGFRA 4741/4885TLR8 947/4885
US-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS MET, HGF, RET PDGFRB 59/4885PDGFRA 46/4885TLR8 1134/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH PDGFRB 4785/4885PDGFRA 4737/4885TLR8 723/4885
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS MET, ERBB2, TIE1 PDGFRB 57/4885PDGFRA 75/4885TLR8 1066/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH PDGFRB 4785/4885PDGFRA 4737/4885TLR8 723/4885
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS MET, ERBB2, TIE1 PDGFRB 57/4885PDGFRA 75/4885TLR8 1066/4885

“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.