SCHEMBL622733

SCHEMBL622733

COc1cc2cc(N)cnc2cc1F

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 18/20 0.52
PDGFRA P16234 18/20 0.52
PDPK1 O15530 1/20 0.44
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 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
SCHEMBL3391498 0.86 PDGFRB (0.57) PDGFRBPDGFRA
Hydrochloric Acid SCHEMBL6364034 0.84 PDGFRB (0.55) PDGFRBPDGFRA
SCHEMBL3877724 0.83 PDGFRB (0.55) PDGFRBPDGFRA
SCHEMBL620753 0.80 PDGFRB (0.52) PDGFRBPDGFRA
SCHEMBL3214568 0.80 PDGFRB (0.52) PDGFRBPDGFRA
SCHEMBL7081617 0.80 PDGFRB (0.46) PDGFRBPDGFRA
SCHEMBL3873425 0.77 HPGDS (0.58) PDGFRBPDGFRA
SCHEMBL28264937 0.76 HPGDS (0.56) PDGFRBPDGFRA
SCHEMBL18318550 0.73 PDGFRB (0.52) PDGFRBPDGFRA
SCHEMBL17942864 0.73 PDPK1 (0.44) PDGFRBPDGFRAPDPK1P2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 US disclosed
EP-2389376-A1 NOVEL BICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2011-11-30 EP disclosed
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 WO disclosed
EP-1687276-B1 NOVEL METHOD OF PREPARING 3-FLUORINATED QUINOLINES NOVEXEL (FR) 2009-10-14 EP disclosed
CN-100537540-C Process for preparing 3-fluoroquinolines AVENTIS PHARMA SA (FR) 2009-09-09 CN disclosed
US-7396934-B2 Process for preparing 3-fluoroquinolines NOVEXEL (FR) 2008-07-08 US disclosed
CN-1894216-A Novel process for preparing 3-fluoroquinolines AVENTIS PHARMA SA (FR) 2007-01-10 CN disclosed
EP-1687276-A1 NOVEL METHOD OF PREPARING 3-FLUORINATED QUINOLINES NOVEXEL (FR) 2006-08-09 EP disclosed
US-20050182259-A1 Subjecting a substituted quinoline-3-carboxamide compound to Hofmann degradation to obtain amine derivative, forming diazonium salt by reacting amine derivative with borontrifluoride-ethyl ether complex, heating to form 3-fluoroquinolines; intermediate for forming antibacterial compound AVENTIS PHARMA S.A. (US) 2005-08-18 US disclosed
WO-2005049575-A1 NOVEL METHOD OF PREPARING 3-FLUORINATED QUINOLINES NOVEXEL (FR) 2005-06-02 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 (4 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 4741/4885PDPK1 4799/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH PDGFRB 4785/4885PDGFRA 4737/4885PDPK1 4493/4885
US-20050182259-A1 Subjecting a substituted quinoline-3-carboxamide compound to Hofmann degradation to obtain amine derivative, forming diazonium salt by reacting amine derivative with borontrifluoride-ethyl ether complex, heating to form 3-fluoroquinolines; intermediate for forming antibacterial compound QRFPR, NQO2, DHX35 PDGFRB 3699/4885PDGFRA 2461/4885PDPK1 4224/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH PDGFRB 4785/4885PDGFRA 4737/4885PDPK1 4493/4885

“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.