SCHEMBL2779096

SCHEMBL2779096

Nc1nc(N)nc(Nc2cccc(Br)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.52
KDR P35968 1/20 0.51
EGFR P00533 7/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NOD1 Q9Y239 1/20 0.49
ADRB2 P07550 1/20 0.49
AGPAT2 O15120 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
HTR2B P41595 1/20 0.47
HTR5A P47898 1/20 0.47
HTR6 P50406 1/20 0.47

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
SCHEMBL30490523 0.89 NFKB1 (0.53) BRAFKDREGFRLMNAMAPT
SCHEMBL7564951 0.87 KDR (0.58) KDREGFRADRB2ABCG2
SCHEMBL2456892 0.85 ALDH1A1 (0.53) BRAFKDREGFRLMNAMAPT
SCHEMBL23412597 0.84 RHOA (0.47) BRAFKDREGFRLMNAMAPT
SCHEMBL29887268 0.84 RHOA (0.47) BRAFKDREGFRLMNAMAPT
SCHEMBL28918145 0.82 KDR (0.46) BRAFKDREGFRADRB2AGPAT2
SCHEMBL23130650 0.81 MAPT (0.57) EGFRLMNAMAPTNPC1RAB9A
SCHEMBL24824840 0.80 MAPT (0.51) LMNAMAPTNPC1RAB9ANOD1
SCHEMBL8978637 0.79 NFKB1 (0.65) KDREGFRLMNAMAPTNPC1
SCHEMBL14869768 0.79 RAB9A (0.73) LMNAMAPTNPC1RAB9ANOD1

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
CN-101616945-B Polyurethane foam containing flame-retardant mixture SUPRESTA LLC US 2012-10-03 CN disclosed
US-20100137465-A1 PHOSPHATE ESTER FLAME RETARDANT AND RESINS CONTAINING SAME ICL-IP AMERICA INC. 2010-06-03 US disclosed
US-20100137467-A1 POLYURETHANE FOAM CONTAINING FLAME-RETARDANT MIXTURE ICL-IP AMERICA INC. 2010-06-03 US disclosed
US-20100063169-A1 PHOSPHORAMIDE ESTER FLAME RETARDANT AND RESINS CONTAINING SAME ICL-IP AMERICA INC. 2010-03-11 US disclosed
CN-101616945-A The polyurethane foam that contains flame-retardant mixture SUPRESTA LLC 2009-12-30 CN disclosed
EP-2091991-A2 POLYURETHANE FOAM CONTAINING FLAME-RETARDANT MIXTURE Supresta LLC (US) 2009-08-26 EP disclosed
WO-2008118154-A2 POLYURETHANE FOAM CONTAINING FLAME-RETARDANT MIXTURE SUPRESTA LLC (US) 2008-10-02 WO disclosed
WO-2008085924-A1 PHOSPHATE ESTER FLAME RETARDANT AND RESINS CONTAINING SAME SUPRESTA LLC (US) 2008-07-17 WO disclosed
WO-2008085926-A1 PHOSPHORAMIDE ESTER FLAME RETARDANT AND RESINS CONTAINING SAME SUPRESTA LLC (US) 2008-07-17 WO disclosed
US-6617379-B2 N,N'-piperazinebis(neopentylglycol)phosphoramidate in combination with at least one co-additive which is either melamine or a melamine derivative such as melamine cyanurate or melamine pyrophosphate ALBEMARLE CORPORATION 2003-09-09 US disclosed
WO-2003048247-A1 FLAME RETARDANT POLYMER COMPOSITIONS ALBEMARLE CORPORATION (US) 2003-06-12 WO disclosed
US-20030109608-A1 Flame retardant polymer compositions ALBEMARLE CORPORATION 2003-06-12 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 (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-20100137465-A1 PHOSPHATE ESTER FLAME RETARDANT AND RESINS CONTAINING SAME PFAS, PFKFB3, PFKFB2 BRAF 1184/4885KDR 1291/4885EGFR 3598/4885
US-20100063169-A1 PHOSPHORAMIDE ESTER FLAME RETARDANT AND RESINS CONTAINING SAME PFAS, RARA, PPARA BRAF 705/4885KDR 1838/4885EGFR 3766/4885

“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.